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

Systemtic Name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-10,13-dimethyl-3,11-bis(oxidanyl)-12-oxidanylidene-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3,11-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3,11-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3,11-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3,11-dihydroxy-12-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(C(=O)C(=C3C2CCC4C3(CCC(C4)O)C)O)C

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C(=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C24H36O5/c1-13(4-9-19(26)27)17-7-8-18-16-6-5-14-12-15(25)10-11-23(14,2)20(16)21(28)22(29)24(17,18)3/h13-18,25,28H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,23+,24-/m1/s1