6-[6-[2-carboxy-6-(2-ethyl-6-methoxy-4-methyl-5-sulfooxy-oxan-3-yl)oxy-4-methoxy-5-methyl-oxan-3-yl]oxy-2-ethyl-4,5-disulfooxy-oxan-3-yl]oxy-4,5-dimethoxy-3-methyl-oxane-2-carboxylic acid

Systemtic Name: 6-[6-[2-carboxy-6-(2-ethyl-6-methoxy-4-methyl-5-sulfooxy-oxan-3-yl)oxy-4-methoxy-5-methyl-oxan-3-yl]oxy-2-ethyl-4,5-disulfooxy-oxan-3-yl]oxy-4,5-dimethoxy-3-methyl-oxane-2-carboxylic acid Openeye Name: 6-[6-[2-carboxy-6-(2-ethyl-6-methoxy-4-methyl-5-sulfooxy-tetrahydropyran-3-yl)oxy-4-methoxy-5-methyl-tetrahydropyran-3-yl]oxy-2-ethyl-4,5-disulfooxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-3-methyl-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[6-[[2-carboxy-6-[(2-ethyl-6-methoxy-4-methyl-5-sulfooxy-3-oxanyl)oxy]-4-methoxy-5-methyl-3-oxanyl]oxy]-2-ethyl-4,5-disulfooxy-3-oxanyl]oxy]-4,5-dimethoxy-3-methyl-2-oxanecarboxylic acid IUPAC Name: 6-[6-[2-carboxy-6-(2-ethyl-6-methoxy-4-methyl-5-sulfooxyoxan-3-yl)oxy-4-methoxy-5-methyloxan-3-yl]oxy-2-ethyl-4,5-disulfooxyoxan-3-yl]oxy-4,5-dimethoxy-3-methyloxane-2-carboxylic acid Traditional Name: 6-[6-[2-carboxy-6-(2-ethyl-6-methoxy-4-methyl-5-sulfoxy-tetrahydropyran-3-yl)oxy-4-methoxy-5-methyl-tetrahydropyran-3-yl]oxy-2-ethyl-4,5-disulfoxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-3-methyl-tetrahydropyran-2-carboxylic acid Formula: C33H56O27S3 MolecularWeight: 980.97654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(O1)OC)OS(=O)(=O)O)C)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CC)OC4C(C(C(C(O4)C(=O)O)C)OC)OC)OS(=O)(=O)O)OS(=O)(=O)O)OC)C

Isomeric SMILES

CCC1C(C(C(C(O1)OC)OS(=O)(=O)O)C)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CC)OC4C(C(C(C(O4)C(=O)O)C)OC)OC)OS(=O)(=O)O)OS(=O)(=O)O)OC)C

InChI

InChI=1S/C33H56O27S3/c1-10-15-17(12(3)21(31(50-9)51-15)58-61(38,39)40)53-30-14(5)19(48-7)23(25(57-30)29(36)37)56-33-27(60-63(44,45)46)24(59-62(41,42)43)22(16(11-2)52-33)55-32-26(49-8)18(47-6)13(4)20(54-32)28(34)35/h12-27,30-33H,10-11H2,1-9H3,(H,34,35)(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)