Cas no 30635-00-8 (Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)-)
30635-00-8 structure
Product Name:Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)-
Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)- Chemical and Physical Properties
Names and Identifiers
-
- Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)-
- 4-(3,12-dihydroxy-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
- (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-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
- 3,12-Dihydroxycholan-24-oic acid
- AC1L1EX5
- AGN-PC-00EYPN
- CTK8J3898
- Deoxycholsaeure
- Desoxycholic acid
- Desoxycholsaeure
- NSC224323
- SureCN2735036
- 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
- KXGVEGMKQFWNSR-UHFFFAOYSA-N
- DTXSID70859123
- SY010974
- FT-0665783
- LS-15078
- L000718
- BCP15620
- DTXSID30274393
- Deoxycholic Acid-d5
- AKOS002391126
- EN300-295900
- 3-ALPHA,12-BETA-DIHYDROXY-5-BETA-CHOLAN-24-OIC ACID
- 4-{7,11-Dihydroxy-9a,11a-dimethyl-hexadecahydro-1H- cyclopenta[a]phenanthren-1-yl}pentanoic acid
- NSC-224323
- Deoxycholate;Cholanoic Acid; Desoxycholic acid
- 3??,12??-Dihydroxy-5??-cholanic acid, 7-Deoxycholic acidl
- 30635-00-8
- Cholan-24-oic acid, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
- SCHEMBL2735036
- 3BETA,12ALPHA-DIHYDROXYCHOLANIC ACID
-
- Inchi： 1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
- InChI Key： KXGVEGMKQFWNSR-UHFFFAOYSA-N
- SMILES： OC1CC2C3(C)CCC(CC3CCC2C2CCC(C(C)CCC(=O)O)C21C)O
Computed Properties
- Exact Mass: 392.2928
- Monoisotopic Mass: 392.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
- LogP: 4.47790
Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
30635-00-8 (Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)-) Related Products
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