[(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-dimethyl-3,15-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate

Systemtic Name: [(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-dimethyl-3,15-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate Openeye Name: [(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-3,15-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate CAS Name: acetic acid [(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-3,15-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester IUPAC Name: [(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-3,15-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate Traditional Name: acetic acid [(2R,6R)-6-[(3R,5S,8R,9S,10S,13R,14S,15S,17R)-3,15-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ester Formula: C29H50O4 MolecularWeight: 462.7049

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)C1CC(C2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)COC(=O)C

Isomeric SMILES

C[C@H](CCC[C@@H](C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O)COC(=O)C

InChI

InChI=1S/C29H50O4/c1-18(17-33-20(3)30)7-6-8-19(2)25-16-26(32)27-23-10-9-21-15-22(31)11-13-28(21,4)24(23)12-14-29(25,27)5/h18-19,21-27,31-32H,6-17H2,1-5H3/t18-,19-,21+,22-,23-,24+,25-,26+,27-,28+,29-/m1/s1