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

Systemtic Name: methyl (1R,4aS)-6-ethanoyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS)-6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS)-6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-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(=O)OC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1C(=O)C)[C@]3(CCC[C@@](C3CC2)(C)C(=O)OC)C

InChI

InChI=1S/C23H32O3/c1-14(2)17-12-16-8-9-20-22(4,19(16)13-18(17)15(3)24)10-7-11-23(20,5)21(25)26-6/h12-14,20H,7-11H2,1-6H3/t20?,22-,23-/m1/s1