methyl (4aR,10aS)-6-ethanoyl-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

Systemtic Name: methyl (4aR,10aS)-6-ethanoyl-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-6-acetyl-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-6-acetyl-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-6-acetyl-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-6-acetyl-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1C(=O)C)C3(CCCC(C3CC2)(C)C)C(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1C(=O)C)[C@]3(CCCC([C@@H]3CC2)(C)C)C(=O)OC

InChI

InChI=1S/C23H32O3/c1-14(2)17-12-16-8-9-20-22(4,5)10-7-11-23(20,21(25)26-6)19(16)13-18(17)15(3)24/h12-14,20H,7-11H2,1-6H3/t20-,23-/m0/s1