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

Systemtic Name: (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylpropanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylpropanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methyl-1-oxopropoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylpropanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3R,5R)-7-[(1S,2S,8S,8aR)-8-isobutyryloxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=CCCC(C2C1CCC(CC(CC(=O)O)O)O)OC(=O)C(C)C

Isomeric SMILES

C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)OC(=O)C(C)C

InChI

InChI=1S/C22H34O6/c1-13(2)22(27)28-19-6-4-5-15-8-7-14(3)18(21(15)19)10-9-16(23)11-17(24)12-20(25)26/h5,7-8,13-14,16-19,21,23-24H,4,6,9-12H2,1-3H3,(H,25,26)/t14-,16+,17+,18-,19-,21-/m0/s1