Cas no 129874-08-4 (Terpenes)
Terpenes structure
Product Name:Terpenes
CAS No:129874-08-4
MF:C24H40O5
MW:408.57140827179
CID:102862
PubChem ID:221493
Update Time:2025-04-18
Terpenes Chemical and Physical Properties
Names and Identifiers
-
- Terpenes
- Terpene
- Terpene series
- Terpenes and Terpenoids
- Terpenoids
- BBR2
- Dertosol N
- FlorinS
- HFT 1
- Hydrocarbons, terpenic
- Norpine 65
- Rentry D
- Terpanes
- EC 201-337-8
- 5beta-Cholanic acid, 3alpha,7alpha,12alpha-trihydroxy- (7CI)
- URSODEOXYCHOLIC ACID IMPURITY B [EP IMPURITY]
- CHEBI:16359
- 3alpha,7alpha,12alpha-Trihydroxy-beta-cholanic acid
- NSC-6135
- CholsA currencyure
- 3a,7a,12a-Trihydroxy-b-cholanate
- Cholic acid, British Pharmacopoeia (BP) Reference Standard
- 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.,12.alpha.-trihydroxy-
- Cholalin
- 3a,7a,12a-Trihydroxy-b-cholanic acid
- kolbam
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3-alpha,5-beta,7-alpha,12-alpha)-
- 3a,7a,12a-Trihydroxy-5b-cholan-24-oate
- Cholalic acid
- (R)-4-((3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- (4R)-4-((3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- Orphacol&Reg;
- 3-alpha,7-alpha,12-alpha-Trihydroxycholansaeure [German]
- HY-N0324
- C00695
- 5.beta.-Cholan-24-oic acid,7.alpha.,12.alpha.-trihydroxy-
- CCG-268746
- 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxy-5-.beta.-cholan-24-oic acid
- 129874-08-4
- Cholic acid, from ox or sheep bile, >=98%
- NCGC00142384-03
- Colalin
- Cholic acid (USAN)
- orphacol
- Z1954806455
- 361-09-1
- HSDB 982
- OrphacolReg
- 3a,7a,12a-Trihydroxycholanate
- 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3alpha,7alpha,12alpha-triol
- Cholalate
- DB02659
- Cholic acid, United States Pharmacopeia (USP) Reference Standard
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-
- SCHEMBL27461
- LMST04010001
- Cholic acid, 500 mug/mL in methanol, certified reference material
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
- 5b-Cholic acid
- 17beta-[1-Methyl-3-carboxypropyl]etiocholane-3alpha,7alpha,12alpha-triol
- 3a,7a,12a-Trihydroxy-beta-cholanic acid
- CHOLIC ACID [FCC]
- CHEMBL205596
- cholic-acid
- 3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholanic acid
- (3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-Trihydroxycholan-24-oic acid sodium salt
- HMS2268L18
- 4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy-
- 3a,7a,12a-Trihydroxy-5b-cholanoic acid
- 17b-[1-Methyl-3-carboxypropyl]etiocholane-3a,7a,12a-triol
- CHOLIC ACID [JAN]
- MLS001066422
- SMR000112165
- Cholic acid (8CI)
- (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
- cholicacid
- CHOLIC ACID [WHO-DD]
- Cholic acid, European Pharmacopoeia (EP) Reference Standard
- 3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholan-24-oic acid
- 3,7,12-Trihydroxycholan-24-oic acid, (3alpha,5beta,7alpha,12alpha)-
- NSC6135
- 3,7,12-Trihydroxy-cholan-24-oic acid, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
- GTPL609
- DTXSID6040660
- 3-alpha,7-alpha,12-alpha-Trihydroxycholansaeure
- 3a,7a,12a-Trihydroxy-5b-cholanoate
- cholic acid
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid (Cholic Acid)
- Cholbam (TN)
- CHOLIC ACID (USP-RS)
- 3.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
- SODIUM CHOLATE
- 5.beta.-Cholic acid
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- (9CI)
- SR-01000765698-4
- 5beta-Cholanic acid-3alpha,7alpha,12alpha-triol 5beta-Cholic acid
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoic acid
- 3a,7a,12a-Trihydroxy-beta-cholanate
- (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
- CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3-.ALPHA.,5-.BETA.,7-.ALPHA.,12-.ALPHA.)-
- 4-10-00-02072 (Beilstein Handbook Reference)
- Cholan-24-oic acid,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
- SR-01000765698
- 3,7,12-Trihydroxy-cholan-24-oic acid (3-alpha,5-beta,7-alpha,12-alpha)
- Cholsaeure
- Q287415
- 3.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid
- 3a,7a,12a-Trihydroxy-5b-cholan-24-oic acid
- CS-6608
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)-
- 5b-Cholate
- Cholbam
- CHD
- CHOLIC ACID (EP IMPURITY)
- (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
- Cholic acid, Vetec(TM) reagent grade, 98%
- 3a,7a,12a-Trihydroxy-5b-cholanate
- 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxycholansaeure
- Cholsaeure [German]
- 3a,7a,12a-Trihydroxy-5b-cholanic acid
- D10699
- CCRIS 1626
- bmse000650
- (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- 10321-98-9
- CHOLIC ACID [ORANGE BOOK]
- DTXCID4020660
- BDBM21680
- Colalin (VAN)
- 5beta-Cholanic acid-3alpha,7alpha,12alpha-triol
- AS-69849
- 3a,7a,12a-Trihydroxycholanic acid
- BRN 2822009
- MLS002207051
- (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 5b-Cholanic acid-3a,7a,12a-triol
- EN300-6766788
- 3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholanoic acid
- (3alpha,5beta,7alpha,8x,12alpha)-3,7,12-trihydroxycholan-24-oic acid
- UNII-G1JO7801AE
- 3a,7a,12a-Trihydroxy-5A-cholanic acid
- BIDD:PXR0196
- (3alpha,5beta,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxycholan-24-oic acid
- Cholic acid (sodium)
- 3,7,12-Trihydroxycholanic acid
- Cholic acid, 5beta-
- 81-25-4
- G1JO7801AE
- 17.beta.-(1-Methyl-3-carboxypropyl)etiocholane-3.alpha.,7.alpha.,12.alpha.-triol
- Cholic acid [USAN]
- AKOS005622502
- NS00010900
- C24H40O5
- s3742
- C-5900
- 3alpha,7alpha,12alpha-Trihydroxycholanic acid
- EINECS 201-337-8
- MFCD00003672
- CHOLIC ACID [EMA EPAR]
- A830252
- (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
- cholate
- CHOLIC ACID [USP-RS]
- Spectrum5_002005
- CHOLIC ACID [HSDB]
- CHOLIC ACID [EP IMPURITY]
- 3-&alpha,7-&alpha,12-&alpha-trihydroxy-5-&beta-cholanate
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid
- URSODEOXYCHOLIC ACID IMPURITY B (EP IMPURITY)
- 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
- BP-30084
- CHOLIC ACID [MI]
-
- Inchi： 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
- InChI Key： BHQCQFFYRZLCQQ-OELDTZBJSA-N
- SMILES： O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O)O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 408.288
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 637
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98A^2
- XLogP3: 3.6
Experimental Properties
- Color/Form: 白色至 灰白色結(jié)晶粉末
- Density: 1.184
- Melting Point: 197-202℃
- Boiling Point: 545
- Flash Point: 321°C
- Refractive Index: 1.558
- PSA: 26.3
- LogP: 3.44870
- Specific Rotation: 36 o (C=0.6, 95% ETOH)
Terpenes Related Literature
-
1. Molecular cleft possessing a cholic acid moiety as a podant and its conformationShigeo Kohmoto,Katsuya Sakayori,Keiki Kishikawa,Makoto Yamamoto J. Chem. Soc. Perkin Trans. 2 1999 833
-
Jono W. Betts,Patrick Roth,Calum A. Pattrick,Hannah M. Southam,Roberto M. La Ragione,Robert K. Poole,Ulrich Schatzschneider Metallomics 2020 12 1563
-
Xiaoyan Bao,Kang Qian,Ping Yao J. Mater. Chem. B 2021 9 6234
-
Ying Li,Chunyan Zhu RSC Adv. 2016 6 28110
-
Li-Peng Zhang,Ke-Jian Jiang,Qiang Chen,Gang Li,Lian-Ming Yang RSC Adv. 2015 5 46206
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