methyl (1S,4aS,10aR)-1,4a-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aR)-1,4a-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aR)-6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)C=CC3C2(CCCC3(C)C(=O)OC)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h7-8,11-13,18,22H,6,9-10H2,1-5H3/t18-,20-,21+/m1/s1