[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoate

Systemtic Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoate Openeye Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 11-(tert-butoxycarbonylamino)undecanoate CAS Name: 11-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]undecanoic acid [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-2-oxo-7-(1-oxooctoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester IUPAC Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoate Traditional Name: 11-(tert-butoxycarbonylamino)undecanoic acid [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-7-caprylyloxy-3,3a-dihydroxy-2-keto-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester Formula: C46H73NO14 MolecularWeight: 864.07012

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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)OC(=O)CCCCCCCCCCNC(=O)OC(C)(C)C)(C(C(=O)O3)(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)OC(=O)CCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O

InChI

InChI=1S/C46H73NO14/c1-11-13-14-19-22-26-34(50)57-38-36-35(30(4)37(38)58-40(51)29(3)12-2)39-46(55,45(10,54)41(52)59-39)32(28-44(36,9)60-31(5)48)56-33(49)25-23-20-17-15-16-18-21-24-27-47-42(53)61-43(6,7)8/h12,32,36-39,54-55H,11,13-28H2,1-10H3,(H,47,53)/b29-12-/t32-,36+,37-,38-,39-,44-,45+,46+/m0/s1