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

Systemtic Name: 7-[2-methyl-8-(2-methyl-2-prop-2-enyl-pent-4-enoyl)oxy-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 7-[8-(2-allyl-2-methyl-pent-4-enoyl)oxy-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxo-2-prop-2-enylpent-4-enoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid IUPAC Name: 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-2-prop-2-enylpent-4-enoyl)oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid Traditional Name: 7-[8-(2-allyl-2-methyl-pent-4-enoyl)oxy-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid Formula: C27H40O7 MolecularWeight: 476.6023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O7/c1-5-11-27(4,12-6-2)26(33)34-23-15-20(29)13-18-8-7-17(3)22(25(18)23)10-9-19(28)14-21(30)16-24(31)32/h5-8,13,17,19-23,25,28-30H,1-2,9-12,14-16H2,3-4H3,(H,31,32)