methyl (4aR,10aS)-1,1-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate

Systemtic Name: methyl (4aR,10aS)-1,1-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-5-hydroxy-7-isopropyl-1,1-dimethyl-6-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-5-hydroxy-1,1-dimethyl-6-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-5-hydroxy-1,1-dimethyl-6-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-5-hydroxy-7-isopropyl-6-keto-1,1-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(CCCC3(C2=C(C1=O)O)C(=O)OC)(C)C

Isomeric SMILES

CC(C)C1=CC2=CC[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h7,11-12,15,23H,6,8-10H2,1-5H3/t15-,21+/m0/s1