[(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2,3,3a,4-tetrakis(oxidanyl)-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] octanoate

Systemtic Name: [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2,3,3a,4-tetrakis(oxidanyl)-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] octanoate Openeye Name: [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-2,3,3a,4-tetrahydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] octanoate CAS Name: octanoic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-2,3,3a,4-tetrahydroxy-3,6,9-trimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] ester IUPAC Name: [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-2,3,3a,4-tetrahydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] octanoate Traditional Name: caprylic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-2,3,3a,4-tetrahydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] ester Formula: C30H46O11 MolecularWeight: 582.67964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)O)(C(C(O3)O)(C)O)O

Isomeric SMILES

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@]([C@H](O3)O)(C)O)O

InChI

InChI=1S/C30H46O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,27,32,35-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,27-,28-,29+,30+/m0/s1