methyl (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-1,4a,7-trimethyl-5-oxidanyl-8-oxidanylidene-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-1,4a,7-trimethyl-5-oxidanyl-8-oxidanylidene-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,5R,7R,9R,10aR)-9-acetoxy-5-hydroxy-1,4a,7-trimethyl-8-oxo-7-vinyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-5-hydroxy-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-5-hydroxy-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,5R,7R,9R,10aR)-9-acetoxy-5-hydroxy-8-keto-1,4a,7-trimethyl-7-vinyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Formula: C23H32O6 MolecularWeight: 404.49658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C(CCCC2(C)C(=O)OC)(C3=C1C(=O)C(CC3O)(C)C=C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@](CCC[C@@]2(C)C(=O)OC)(C3=C1C(=O)[C@@](C[C@H]3O)(C)C=C)C

InChI

InChI=1S/C23H32O6/c1-7-21(3)12-14(25)18-17(19(21)26)15(29-13(2)24)11-16-22(18,4)9-8-10-23(16,5)20(27)28-6/h7,14-16,25H,1,8-12H2,2-6H3/t14-,15-,16-,21+,22+,23-/m1/s1