methyl 8-chloranyl-4a-methyl-3-oxidanyl-7-(1-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate

Systemtic Name: methyl 8-chloranyl-4a-methyl-3-oxidanyl-7-(1-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate Openeye Name: methyl 8-chloro-3-hydroxy-7-(2-hydroxy-1-methyl-ethyl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate CAS Name: 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate Traditional Name: 8-chloro-3-hydroxy-7-(2-hydroxy-1-methyl-ethyl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylic acid methyl ester Formula: C20H27ClO4 MolecularWeight: 366.87898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C2=C(C=C1)C3(CC(CC(C3CC2)C(=O)OC)O)C)Cl

Isomeric SMILES

CC(CO)C1=C(C2=C(C=C1)C3(CC(CC(C3CC2)C(=O)OC)O)C)Cl

InChI

InChI=1S/C20H27ClO4/c1-11(10-22)13-4-6-16-14(18(13)21)5-7-17-15(19(24)25-3)8-12(23)9-20(16,17)2/h4,6,11-12,15,17,22-23H,5,7-10H2,1-3H3