[(3S,10R,13S,17R)-17-(1-methoxycyclopentyl)oxy-10,13-dimethyl-7,16-bis(oxidanylidene)-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,10R,13S,17R)-17-(1-methoxycyclopentyl)oxy-10,13-dimethyl-7,16-bis(oxidanylidene)-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,10R,13S,17R)-17-(1-methoxycyclopentoxy)-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,10R,13S,17R)-17-(1-methoxycyclopentyl)oxy-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13S,17R)-17-(1-methoxycyclopentyl)oxy-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,10R,13S,17R)-7,16-diketo-17-(1-methoxycyclopentoxy)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C27H38O6 MolecularWeight: 458.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CC(=O)C4OC5(CCCC5)OC)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](C(=O)CC4C3C(=O)C=C2C1)OC5(CCCC5)OC)C)C

InChI

InChI=1S/C27H38O6/c1-16(28)32-18-7-11-25(2)17(13-18)14-21(29)23-19(25)8-12-26(3)20(23)15-22(30)24(26)33-27(31-4)9-5-6-10-27/h14,18-20,23-24H,5-13,15H2,1-4H3/t18-,19?,20?,23?,24-,25-,26-/m0/s1