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

Systemtic Name: 7-[2-methyl-8-(3-methylbutanoyloxy)-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(3-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid CAS Name: 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(3-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid IUPAC Name: 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(3-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid Traditional Name: 3,5-dihydroxy-7-(6-hydroxy-8-isovaleryloxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)enanthic acid Formula: C23H36O7 MolecularWeight: 424.52774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O7/c1-13(2)8-22(29)30-20-11-17(25)9-15-5-4-14(3)19(23(15)20)7-6-16(24)10-18(26)12-21(27)28/h4-5,9,13-14,16-20,23-26H,6-8,10-12H2,1-3H3,(H,27,28)