2,3-dimethyl-4-oxidanylidene-6-[(3R,10S,13R,14R,16S,17R)-4,4,10,13,14-pentamethyl-3,16-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

Systemtic Name: 2,3-dimethyl-4-oxidanylidene-6-[(3R,10S,13R,14R,16S,17R)-4,4,10,13,14-pentamethyl-3,16-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid Openeye Name: 6-[(3R,10S,13R,14R,16S,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxo-heptanoic acid CAS Name: 6-[(3R,10S,13R,14R,16S,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid IUPAC Name: 6-[(3R,10S,13R,14R,16S,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid Traditional Name: 6-[(3R,10S,13R,14R,16S,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-keto-2,3-dimethyl-enanthic acid Formula: C31H50O5 MolecularWeight: 502.7257

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C)C(C)C(=O)O)C1C(CC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)O

Isomeric SMILES

CC(CC(=O)C(C)C(C)C(=O)O)[C@H]1[C@H](C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)O

InChI

InChI=1S/C31H50O5/c1-17(15-22(32)18(2)19(3)27(35)36)26-23(33)16-31(8)21-9-10-24-28(4,5)25(34)12-13-29(24,6)20(21)11-14-30(26,31)7/h17-19,23-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17?,18?,19?,23-,24?,25+,26-,29+,30+,31-/m0/s1