methyl 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate

Systemtic Name: methyl 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate Openeye Name: methyl 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate CAS Name: 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate Traditional Name: 3-[(3R,3aR,5aS,6R,7R,9aS,9bS)-7-(bromomethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-6-yl]propionic acid methyl ester Formula: C28H49BrO2 MolecularWeight: 497.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(C3(C)CCC(=O)OC)CBr)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@]3(C)CCC(=O)OC)CBr)C

InChI

InChI=1S/C28H49BrO2/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21(18-29)27(4,17-15-26(30)31-6)25(22)14-16-28(23,24)5/h19-25H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,27+,28-/m1/s1