methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C=C2)(C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1