methyl (1R,4aS)-8-bromanyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS)-8-bromanyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-8-bromo-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS)-8-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-8-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS)-8-bromo-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H29BrO2 MolecularWeight: 393.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C)Br

Isomeric SMILES

CC(C)C1=C(C2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)C(=O)OC)C)Br

InChI

InChI=1S/C21H29BrO2/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17?,20-,21-/m1/s1