5-[(4R,4aS,6aR,7R,9aS,9bS)-4,6a-dimethyl-7-[(2R)-6-methylheptan-2-yl]-2-oxidanylidene-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pentanoic acid

Systemtic Name: 5-[(4R,4aS,6aR,7R,9aS,9bS)-4,6a-dimethyl-7-[(2R)-6-methylheptan-2-yl]-2-oxidanylidene-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pentanoic acid Openeye Name: 5-[(4R,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-4,6a-dimethyl-2-oxo-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pentanoic acid CAS Name: 5-[(4R,4aS,6aR,7R,9aS,9bS)-4,6a-dimethyl-7-[(2R)-6-methylheptan-2-yl]-2-oxo-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f][2]benzopyran-4-yl]pentanoic acid IUPAC Name: 5-[(4R,4aS,6aR,7R,9aS,9bS)-4,6a-dimethyl-7-[(2R)-6-methylheptan-2-yl]-2-oxo-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pentanoic acid Traditional Name: 5-[(4R,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopent[f]isochromen-4-yl]valeric acid Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)OC3(C)CCCCC(=O)O)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)O[C@]3(C)CCCCC(=O)O)C

InChI

InChI=1S/C27H46O4/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)31-27(5,15-7-6-11-24(28)29)23(20)14-16-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1