[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxycyclohexen-1-yl]methyl 1-oxidanyl-6-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: [2-[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxycyclohexen-1-yl]methyl 1-oxidanyl-6-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: [2-[(2S,3R,4S,5S,6R)-3-acetoxy-6-(acetoxymethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxycyclohexen-1-yl]methyl 1-hydroxy-6-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 1-hydroxy-6-oxo-1-cyclohex-2-enecarboxylic acid [2-[[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxy-2-oxanyl]oxy]-1-cyclohexenyl]methyl ester IUPAC Name: [2-[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxycyclohexen-1-yl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate Traditional Name: 1-hydroxy-6-keto-cyclohex-2-ene-1-carboxylic acid [2-[(2S,3R,4S,5S,6R)-3-acetoxy-6-(acetoxymethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxycyclohexen-1-yl]methyl ester Formula: C24H32O12 MolecularWeight: 512.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=C(CCCC2)COC(=O)C3(C=CCCC3=O)O)OC(=O)C)O)O

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(CCCC2)COC(=O)C3(C=CCCC3=O)O)OC(=O)C)O)O

InChI

InChI=1S/C24H32O12/c1-13(25)32-12-17-19(28)20(29)21(34-14(2)26)22(36-17)35-16-8-4-3-7-15(16)11-33-23(30)24(31)10-6-5-9-18(24)27/h6,10,17,19-22,28-29,31H,3-5,7-9,11-12H2,1-2H3/t17-,19-,20+,21-,22-,24?/m1/s1