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

Systemtic Name: methyl (4aR,10aS)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-6-methoxy-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-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)OC)OC

InChI

InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,20(23)25-6)17(15)13-18(16)24-5/h12-14,19H,7-11H2,1-6H3/t19-,22-/m0/s1