methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-7-oxidanyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-7-oxidanyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aR)-7-hydroxy-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-7-hydroxy-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aR)-7-hydroxy-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-7-hydroxy-6-methoxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C19H24O4 MolecularWeight: 316.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=CC3=CC(=C(C=C23)OC)O)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C=CC3=CC(=C(C=C23)OC)O)(C)C(=O)OC

InChI

InChI=1S/C19H24O4/c1-18-8-5-9-19(2,17(21)23-4)16(18)7-6-12-10-14(20)15(22-3)11-13(12)18/h6-7,10-11,16,20H,5,8-9H2,1-4H3/t16-,18-,19+/m1/s1