methyl 6-chloranyl-4a-methyl-7-(1-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate

Systemtic Name: methyl 6-chloranyl-4a-methyl-7-(1-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate Openeye Name: methyl 6-chloro-7-(2-hydroxy-1-methyl-ethyl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate CAS Name: 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate Traditional Name: 6-chloro-7-(2-hydroxy-1-methyl-ethyl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylic acid methyl ester Formula: C20H27ClO3 MolecularWeight: 350.87958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C=C2C(=C1)CCC3C2(CCCC3C(=O)OC)C)Cl

Isomeric SMILES

CC(CO)C1=C(C=C2C(=C1)CCC3C2(CCCC3C(=O)OC)C)Cl

InChI

InChI=1S/C20H27ClO3/c1-12(11-22)15-9-13-6-7-16-14(19(23)24-3)5-4-8-20(16,2)17(13)10-18(15)21/h9-10,12,14,16,22H,4-8,11H2,1-3H3