methyl (4aR,10aS)-6-methoxy-10a-methyl-3-oxidanylidene-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylate

Systemtic Name: methyl (4aR,10aS)-6-methoxy-10a-methyl-3-oxidanylidene-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylate Openeye Name: methyl (4aR,10aS)-6-methoxy-10a-methyl-3-oxo-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylate CAS Name: (4aR,10aS)-6-methoxy-10a-methyl-3-oxo-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-6-methoxy-10a-methyl-3-oxo-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylate Traditional Name: (4aR,10aS)-3-keto-6-methoxy-10a-methyl-1,2,4,4a,9,10-hexahydrophenanthrene-4-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1C(C(=O)CC2)C(=O)OC)C=C(C=C3)OC

Isomeric SMILES

C[C@@]12CCC3=C([C@@H]1C(C(=O)CC2)C(=O)OC)C=C(C=C3)OC

InChI

InChI=1S/C18H22O4/c1-18-8-6-11-4-5-12(21-2)10-13(11)16(18)15(17(20)22-3)14(19)7-9-18/h4-5,10,15-16H,6-9H2,1-3H3/t15?,16-,18+/m1/s1