[(3S,8S,9S,10S,13S,14S,17S)-10-methanoyl-3-(1-methoxycyclopentyl)oxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10S,13S,14S,17S)-10-methanoyl-3-(1-methoxycyclopentyl)oxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(3S,8S,9S,10S,13S,14S,17S)-10-formyl-3-(1-methoxycyclopentoxy)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10S,13S,14S,17S)-10-formyl-3-(1-methoxycyclopentyl)oxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3S,8S,9S,10S,13S,14S,17S)-10-formyl-3-(1-methoxycyclopentyl)oxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10S,13S,14S,17S)-10-formyl-3-(1-methoxycyclopentoxy)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5(CCCC5)OC)C=O)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5(CCCC5)OC)C=O)C

InChI

InChI=1S/C27H40O5/c1-18(29)31-24-9-8-22-21-7-6-19-16-20(32-27(30-3)12-4-5-13-27)10-15-26(19,17-28)23(21)11-14-25(22,24)2/h6,17,20-24H,4-5,7-16H2,1-3H3/t20-,21-,22-,23-,24-,25-,26+/m0/s1