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

Systemtic Name: [(1S,3S,7S,8R,9S,10S,13S,14S,17S)-17-butyl-10-(hydroxymethyl)-3-(1-methoxycyclohexyl)oxy-1,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate Openeye Name: [(1S,3S,7S,8R,9S,10S,13S,14S,17S)-17-butyl-10-(hydroxymethyl)-3-(1-methoxycyclohexoxy)-1,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate CAS Name: decanoic acid [(1S,3S,7S,8R,9S,10S,13S,14S,17S)-17-butyl-10-(hydroxymethyl)-3-(1-methoxycyclohexyl)oxy-1,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(1S,3S,7S,8R,9S,10S,13S,14S,17S)-17-butyl-10-(hydroxymethyl)-3-(1-methoxycyclohexyl)oxy-1,7,13-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate Traditional Name: capric acid [(1S,3S,7S,8R,9S,10S,13S,14S,17S)-17-butyl-3-(1-methoxycyclohexoxy)-1,7,13-trimethyl-10-methylol-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C42H72O5 MolecularWeight: 657.01808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1(CCC2C1(CCC3C2C(C=C4C3(C(CC(C4)OC5(CCCCC5)OC)C)CO)C)C)CCCC

Isomeric SMILES

CCCCCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3([C@H](C[C@@H](C4)OC5(CCCCC5)OC)C)CO)C)C)CCCC

InChI

InChI=1S/C42H72O5/c1-7-9-11-12-13-14-16-19-37(44)47-40(22-10-8-2)26-21-35-38-31(3)27-33-29-34(46-41(45-6)23-17-15-18-24-41)28-32(4)42(33,30-43)36(38)20-25-39(35,40)5/h27,31-32,34-36,38,43H,7-26,28-30H2,1-6H3/t31-,32+,34+,35+,36+,38+,39+,40+,42+/m1/s1