(E,6R)-6-[(3S,7S,14R)-4,4,10,12,13,14-hexamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid

Systemtic Name: (E,6R)-6-[(3S,7S,14R)-4,4,10,12,13,14-hexamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid Openeye Name: (E,6R)-6-[(3S,7S,14R)-3,7-dihydroxy-4,4,10,12,13,14-hexamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid CAS Name: (E,6R)-6-[(3S,7S,14R)-3,7-dihydroxy-4,4,10,12,13,14-hexamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-heptenoic acid IUPAC Name: (E,6R)-6-[(3S,7S,14R)-3,7-dihydroxy-4,4,10,12,13,14-hexamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid Traditional Name: (E,6R)-6-[(3S,7S,14R)-3,7-dihydroxy-11,15-diketo-4,4,10,12,13,14-hexamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid Formula: C31H46O6 MolecularWeight: 514.69334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(C(CC3C2(CCC(C3(C)C)O)C)O)C4(C1(C(CC4=O)C(C)CCC=C(C)C(=O)O)C)C

Isomeric SMILES

CC1C(=O)C2=C([C@H](CC3C2(CC[C@@H](C3(C)C)O)C)O)[C@]4(C1(C(CC4=O)[C@H](C)CC/C=C(\C)/C(=O)O)C)C

InChI

InChI=1S/C31H46O6/c1-16(10-9-11-17(2)27(36)37)19-14-23(34)31(8)24-20(32)15-21-28(4,5)22(33)12-13-29(21,6)25(24)26(35)18(3)30(19,31)7/h11,16,18-22,32-33H,9-10,12-15H2,1-8H3,(H,36,37)/b17-11+/t16-,18?,19?,20+,21?,22+,29?,30?,31+/m1/s1