(E,3R,5S)-7-[(1R,2S,3R)-2-(2,2-dimethylbutanoyloxymethyl)-3-propyl-cyclohexyl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E,3R,5S)-7-[(1R,2S,3R)-2-(2,2-dimethylbutanoyloxymethyl)-3-propyl-cyclohexyl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E,3R,5S)-7-[(1R,2S,3R)-2-(2,2-dimethylbutanoyloxymethyl)-3-propyl-cyclohexyl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E,3R,5S)-7-[(1R,2S,3R)-2-[(2,2-dimethyl-1-oxobutoxy)methyl]-3-propylcyclohexyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E,3R,5S)-7-[(1R,2S,3R)-2-(2,2-dimethylbutanoyloxymethyl)-3-propylcyclohexyl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E,3R,5S)-7-[(1R,2S,3R)-2-(2,2-dimethylbutanoyloxymethyl)-3-propyl-cyclohexyl]-3,5-dihydroxy-hept-6-enoic acid Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(C1COC(=O)C(C)(C)CC)C=CC(CC(CC(=O)O)O)O

Isomeric SMILES

CCC[C@@H]1CCC[C@@H]([C@H]1COC(=O)C(C)(C)CC)/C=C/[C@H](C[C@H](CC(=O)O)O)O

InChI

InChI=1S/C23H40O6/c1-5-8-16-9-7-10-17(11-12-18(24)13-19(25)14-21(26)27)20(16)15-29-22(28)23(3,4)6-2/h11-12,16-20,24-25H,5-10,13-15H2,1-4H3,(H,26,27)/b12-11+/t16-,17-,18-,19-,20+/m1/s1