(4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,7-bis(oxidanylidene)-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,7-bis(oxidanylidene)-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,7-dioxo-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,7-dioxo-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,7-dioxo-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-1,7-diketo-10,13-dimethyl-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H34O4 MolecularWeight: 386.52436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(C(=O)C=CC4)C)C

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(C(=O)C=CC4)C)C

InChI

InChI=1S/C24H34O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(11-12-23(16,17)2)24(3)15(13-19(22)25)5-4-6-20(24)26/h4,6,14-18,22H,5,7-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,22+,23-,24+/m1/s1