[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (1R,3aR,6aS)-5',5'-dimethyl-2-oxidanylidene-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-1-carboxylate

Systemtic Name: [(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (1R,3aR,6aS)-5',5'-dimethyl-2-oxidanylidene-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-1-carboxylate Openeye Name: [(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (1R,3aR,6aS)-5',5'-dimethyl-2-oxo-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-1-carboxylate CAS Name: (1R,3aR,6aS)-5',5'-dimethyl-2-oxo-1-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]carboxylic acid [(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (1R,3aR,6aS)-5',5'-dimethyl-2-oxospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-1-carboxylate Traditional Name: (1R,3aR,6aS)-2-keto-5',5'-dimethyl-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-1-carboxylic acid [(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C33H44O6 MolecularWeight: 536.69886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CC3CC(=O)C(C3C2)C(=O)OC4CCC5C4(CCC6C5CCC7=C6C=CC(=C7)OC)C)OC1)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)[C@@H]4[C@H]5CC6(C[C@H]5CC4=O)OCC(CO6)(C)C)CCC7=C3C=CC(=C7)OC

InChI

InChI=1S/C33H44O6/c1-31(2)17-37-33(38-18-31)15-20-14-27(34)29(25(20)16-33)30(35)39-28-10-9-26-24-7-5-19-13-21(36-4)6-8-22(19)23(24)11-12-32(26,28)3/h6,8,13,20,23-26,28-29H,5,7,9-12,14-18H2,1-4H3/t20-,23-,24-,25+,26+,28+,29-,32+/m1/s1