7-[8-(2-ethyl-2-prop-2-enyl-pent-4-enoyl)oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: 7-[8-(2-ethyl-2-prop-2-enyl-pent-4-enoyl)oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 7-[8-(2-allyl-2-ethyl-pent-4-enoyl)oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: 7-[8-(2-ethyl-1-oxo-2-prop-2-enylpent-4-enoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid IUPAC Name: 7-[8-(2-ethyl-2-prop-2-enylpent-4-enoyl)oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: 7-[8-(2-allyl-2-ethyl-pent-4-enoyl)oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid Formula: C28H42O6 MolecularWeight: 474.62948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C)(CC=C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O

Isomeric SMILES

CCC(CC=C)(CC=C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O

InChI

InChI=1S/C28H42O6/c1-5-15-28(7-3,16-6-2)27(33)34-24-10-8-9-20-12-11-19(4)23(26(20)24)14-13-21(29)17-22(30)18-25(31)32/h5-6,9,11-12,19,21-24,26,29-30H,1-2,7-8,10,13-18H2,3-4H3,(H,31,32)