potassium (4R)-4-[(3R,5S,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: potassium (4R)-4-[(3R,5S,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: potassium (4R)-4-[(3R,5S,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: potassium (4R)-4-[(3R,5S,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate IUPAC Name: potassium (4R)-4-[(3R,5S,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: potassium (4R)-4-[(3R,5S,10S,13R,17R)-3-hydroxy-7-keto-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valerate Formula: C24H37KO4 MolecularWeight: 428.64648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C.[K+]

Isomeric SMILES

C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C.[K+]

InChI

InChI=1S/C24H38O4.K/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-19,22,25H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18?,19?,22?,23+,24-;/m1./s1