(6Z)-6-[[(6Z)-7-carboxy-1,5-bis(oxidanyl)-4-(1-oxidanylheptyl)-3-oxidanylidene-9-[oxidanyl-(6-oxidanylidene-2,3-dihydropyran-2-yl)methyl]-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-yl]carbonyloxycarbonyl]-1,5-bis(oxidanyl)-4-(1-oxidanylheptyl)-3-oxidanylidene-9-[oxidanyl-(6-oxidanylidene-2,3-dihydropyran-2-yl)methyl]-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid

Systemtic Name: (6Z)-6-[[(6Z)-7-carboxy-1,5-bis(oxidanyl)-4-(1-oxidanylheptyl)-3-oxidanylidene-9-[oxidanyl-(6-oxidanylidene-2,3-dihydropyran-2-yl)methyl]-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-yl]carbonyloxycarbonyl]-1,5-bis(oxidanyl)-4-(1-oxidanylheptyl)-3-oxidanylidene-9-[oxidanyl-(6-oxidanylidene-2,3-dihydropyran-2-yl)methyl]-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid Openeye Name: (6Z)-6-[(6Z)-7-carboxy-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-carbonyl]oxycarbonyl-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid CAS Name: (6Z)-6-[[[(6Z)-7-carboxy-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-yl]-oxomethoxy]-oxomethyl]-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid IUPAC Name: (6Z)-6-[(6Z)-7-carboxy-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-carbonyl]oxycarbonyl-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-3-oxo-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid Traditional Name: (6Z)-6-[(6Z)-7-carboxy-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-keto-2,3-dihydropyran-2-yl)methyl]-3-keto-1,4,5,8,9,10-hexahydrocyclonona[c]furan-6-carbonyl]oxycarbonyl-1,5-dihydroxy-4-(1-hydroxyheptyl)-9-[hydroxy-(6-keto-2,3-dihydropyran-2-yl)methyl]-3-keto-1,4,5,8,9,10-hexahydrocyclonona[c]furan-7-carboxylic acid Formula: C52H66O23 MolecularWeight: 1059.06664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1C(C(=C(CC(CC2=C1C(=O)OC2O)C(C3CC=CC(=O)O3)O)C(=O)O)C(=O)OC(=O)C4=C(CC(CC5=C(C(C4O)C(CCCCCC)O)C(=O)OC5O)C(C6CC=CC(=O)O6)O)C(=O)O)O)O

Isomeric SMILES

CCCCCCC(O)C1C2=C(C(OC2=O)O)CC(C/C(=C(\C1O)/C(=O)OC(=O)/C/3=C(/CC(CC4=C(C(=O)OC4O)C(C3O)C(O)CCCCCC)C(O)C5OC(=O)C=CC5)\C(=O)O)/C(=O)O)C(O)C6OC(=O)C=CC6

InChI

InChI=1S/C52H66O23/c1-3-5-7-9-13-29(53)39-35-27(47(65)73-49(35)67)21-23(41(57)31-15-11-17-33(55)71-31)19-25(45(61)62)37(43(39)59)51(69)75-52(70)38-26(46(63)64)20-24(42(58)32-16-12-18-34(56)72-32)22-28-36(50(68)74-48(28)66)40(44(38)60)30(54)14-10-8-6-4-2/h11-12,17-18,23-24,29-32,39-44,47-48,53-54,57-60,65-66H,3-10,13-16,19-22H2,1-2H3,(H,61,62)(H,63,64)/b37-25-,38-26-