LHP

(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid


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Chemical Component Summary

Name(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
SynonymsLithocholic acid propionate
Identifiers(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
FormulaC27 H44 O4
Molecular Weight432.636
TypeNON-POLYMER
Isomeric SMILESCCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C
InChIInChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
InChIKeyRDIKLWFVJHJCMN-RMXYKXGFSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count9
Bond Count78
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 25102848