methyl (1S,4aS,10aR)-1,4a-dimethyl-7-oxidanyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aR)-1,4a-dimethyl-7-oxidanyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aR)-7-hydroxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-7-hydroxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aR)-7-hydroxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-7-hydroxy-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)O)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1CC(=O)C3=C2C=CC(=C3)O)(C)C(=O)OC

InChI

InChI=1S/C18H22O4/c1-17-7-4-8-18(2,16(21)22-3)15(17)10-14(20)12-9-11(19)5-6-13(12)17/h5-6,9,15,19H,4,7-8,10H2,1-3H3/t15-,17-,18+/m1/s1