[(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptyl)oxy-17-ethyl-10-(hydroxymethyl)-4,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptyl)oxy-17-ethyl-10-(hydroxymethyl)-4,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptoxy)-17-ethyl-10-(hydroxymethyl)-4,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptyl)oxy-17-ethyl-10-(hydroxymethyl)-4,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptyl)oxy-17-ethyl-10-(hydroxymethyl)-4,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,4S,7S,8R,9S,10S,13S,14S,17S)-17-(1-ethoxycycloheptoxy)-17-ethyl-4,7,13-trimethyl-10-methylol-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C34H56O5 MolecularWeight: 544.80544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C1(CCC3C2C(C=C4C3(CCC(C4C)OC(=O)C)CO)C)C)OC5(CCCCCC5)OCC

Isomeric SMILES

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H]([C@H]4C)OC(=O)C)CO)C)C)OC5(CCCCCC5)OCC

InChI

InChI=1S/C34H56O5/c1-7-33(39-34(37-8-2)16-11-9-10-12-17-34)20-14-26-30-23(3)21-28-24(4)29(38-25(5)36)15-19-32(28,22-35)27(30)13-18-31(26,33)6/h21,23-24,26-27,29-30,35H,7-20,22H2,1-6H3/t23-,24+,26+,27+,29+,30+,31+,32+,33+/m1/s1