methyl (1R,4aR)-1,4a-dimethyl-9-oxidanyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aR)-1,4a-dimethyl-9-oxidanyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aR)-9-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9-tetrahydrophenanthrene-1-carboxylate CAS Name: (1R,4aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aR)-9-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3=CC2O)(C)C(=O)OC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3=CC2O)(C)C(=O)OC)C

InChI

InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-13,17,22H,6,9-10H2,1-5H3/t17?,20-,21-/m1/s1