(3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2-methyl-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2-methyl-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid Formula: C24H38O7 MolecularWeight: 438.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O

InChI

InChI=1S/C24H38O7/c1-5-24(3,4)23(30)31-20-12-17(26)10-15-7-6-14(2)19(22(15)20)9-8-16(25)11-18(27)13-21(28)29/h6-7,10,14,16-20,22,25-27H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16+,17+,18+,19-,20-,22-/m0/s1