[(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetyloxy-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetyloxy-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetoxy-17-[(1R)-1-acetoxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetyloxy-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetyloxy-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-16-acetoxy-17-[(1R)-1-acetoxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H40O6/c1-15(31-16(2)28)25-24(33-18(4)30)14-23-21-8-7-19-13-20(32-17(3)29)9-11-26(19,5)22(21)10-12-27(23,25)6/h7,15,20-25H,8-14H2,1-6H3/t15-,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1