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

Systemtic Name: [(3S,4S,8R,9S,10S,13S,14S,17S)-17-ethyl-10-(hydroxymethyl)-3-(1-methoxycyclopentyl)oxy-4,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(3S,4S,8R,9S,10S,13S,14S,17S)-17-ethyl-10-(hydroxymethyl)-3-(1-methoxycyclopentoxy)-4,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(3S,4S,8R,9S,10S,13S,14S,17S)-17-ethyl-10-(hydroxymethyl)-3-(1-methoxycyclopentyl)oxy-4,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3S,4S,8R,9S,10S,13S,14S,17S)-17-ethyl-10-(hydroxymethyl)-3-(1-methoxycyclopentyl)oxy-4,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(3S,4S,8R,9S,10S,13S,14S,17S)-17-ethyl-3-(1-methoxycyclopentoxy)-4,13-dimethyl-10-methylol-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C30H48O5 MolecularWeight: 488.69912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C1(CCC3C2CC=C4C3(CCC(C4C)OC5(CCCC5)OC)CO)C)OC(=O)C

Isomeric SMILES

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4C)OC5(CCCC5)OC)CO)C)OC(=O)C

InChI

InChI=1S/C30H48O5/c1-6-29(34-21(3)32)18-12-24-22-9-10-23-20(2)26(35-30(33-5)14-7-8-15-30)13-17-28(23,19-31)25(22)11-16-27(24,29)4/h10,20,22,24-26,31H,6-9,11-19H2,1-5H3/t20-,22-,24-,25-,26-,27-,28+,29-/m0/s1