Cas no 30634-98-1 (Hyo-desoxycholsaeure)
Hyo-desoxycholsaeure structure
Product Name:Hyo-desoxycholsaeure
CAS No:30634-98-1
MF:C24H40O4
MW:392.572008132935
CID:2008942
PubChem ID:9963687
Update Time:2025-04-21
Hyo-desoxycholsaeure Chemical and Physical Properties
Names and Identifiers
-
- Hyo-desoxycholsaeure
- 7-Deoxyhyocholate
- (4R)-4-[(3R,6S,8S,9S,10R,13R,14S,17R)-3,6-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
- A,6
- A)-3,6-dihydroxycholan-24-oic acid
- 3a,6a-Dihydroxy-5b-cholanate
- SCHEMBL207644
- 30634-98-1
- 6a-Hydroxylithocholic acid
- alpha-Hyodeoxycholic acid
- 3a,6a-Dihydroxy-5b-cholan-24-oate
- Hyodesoxycholate
- 6a-Hydroxylithocholate
- a-Hyodeoxycholate
- 3a,6a-dihydroxycholanic acid
- alpha-Hyodeoxycholate
- Iodeoxycholate
- 3a,6a-Dihydroxy-5b-cholanoate
- 3a,6a-Dihydroxy-5b-cholan-24-oic acid
- 3a,6a-Dihydroxy-5b-cholanic acid
- 3a,6a-Dihydroxy-5b-cholanoic acid
-
- MDL: MFCD29050285
- Inchi: 1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20?,21+,23-,24-/m1/s1
- InChI Key: DGABKXLVXPYZII-CDONHWFASA-N
- SMILES: O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]32)[C@@]2(C)CC[C@H](CC21)O
Computed Properties
- Exact Mass: 392.29265975Da
- Monoisotopic Mass: 392.29265975Da
- 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: 9
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- LogP: 3.08
Hyo-desoxycholsaeure Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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