dehydrocholic acid

(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

CAS: 81-23-2

Molecular Formula	`C24H34O5`
Molecular Weight	402.5 g/mol
LogP	2.6
Topological Polar Surface Area	88.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	402.24063
Heavy Atoms	29
Complexity	756.0

Chemical Identifiers

CAS Number	81-23-2
SMILES	`CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C`
InChIKey	`OHXPGWPVLFPUSM-KLRNGDHRSA-N`

📖 Product Overview

dehydrocholic acid (CAS: 81-23-2) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.5 g/mol. Its IUPAC systematic name is (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid. LogP 2.6 Topological Polar Surface Area 88.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 402.24063 Heavy Atoms 29 Complexity 756.0 InChI Key: OHXPGWPVLFPUSM-KLRNGDHRSA-N. SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.

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