2,3,4-Triacetate 3,7-Dihydroxy-15-yl Methyl Ester beta-D-Glucopyranosiduronic Acid

Analyte Name

2,3,4-Triacetate 3,7-Dihydroxy-15-yl Methyl Ester beta-D-Glucopyranosiduronic Acid

CAS Number

1394959-40-0

Molecular Formula

C28 H36 O15

Molecular Weight

612.576

Accurate Mass

612.205

SMILES

COC(=O)[C@H]1O[C@@H](OC[C@]23[C@H](O)C(=O)C(=C[C@H]2O[C@@H]4[C@H](O)C[C@@]3(C)[C@]45CO5)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C28H36O15/c1-11-7-16-27(22(34)17(11)33,26(5)8-15(32)23(42-16)28(26)10-38-28)9-37-25-21(41-14(4)31)19(40-13(3)30)18(39-12(2)29)20(43-25)24(35)36-6/h7,15-16,18-23,25,32,34H,8-10H2,1-6H3/t15-,16-,18+,19+,20+,21-,22-,23-,25-,26-,27-,28+/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methoxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat