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

Systemtic Name: [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-diacetyloxy-10,13-dimethyl-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate Openeye Name: [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-diacetoxy-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate CAS Name: acetic acid [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-diacetyloxy-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester IUPAC Name: [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-diacetyloxy-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate Traditional Name: acetic acid [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-diacetoxy-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ester Formula: C33H54O7 MolecularWeight: 562.77766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)O)OC(=O)C)C)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C33H54O7/c1-20(19-38-22(3)34)9-8-10-21(2)27-11-12-28-26-17-30(40-24(5)36)33(37)18-25(39-23(4)35)13-16-32(33,7)29(26)14-15-31(27,28)6/h20-21,25-30,37H,8-19H2,1-7H3/t20?,21-,25+,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1