Cortolic acid

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

Also Known As: Cortolic acid|A-cortolic acid|KST-1A5937|KST-1A5938|3,11,17,20-tetrahydroxypregnan-21-oic acid|3alpha,11beta,17,20-Tetrahydroxypregnan-21-oic acid|3 alpha,11 beta,17,20-tetrahydroxypregnan-21-oic acid|(3|A,5|A,11|A,20s)-3,11,17,20-tetrahydroxypregnan-21-oic acid|(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid|(20S)-3alpha,11beta,17,20-Tetrahydroxy-5beta-pregnan-21-oic acid|(S)-Hydroxy-((3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-acetic acid

Molecular Formula	C21H34O6
Molecular Weight	382.23553 g/mol
LogP	2.3
Topological Polar Surface Area	118.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	382.23553
Monoisotopic Mass	382.23553
Heavy Atoms	27
Complexity	624.0

Chemical Identifiers

CAS Number	54692-48-7
SMILES	C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](C(=O)O)O)O)C)O)O
InChIKey	OLMLRNWYSYNMBM-RIEHMIHFSA-N