Analyte Name

2-(3-(Acetyloxy)-4-methoxyphenyl)-5-hydroxy-6-iodo-7-((2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-4H-1-Benzopyran-4-one

CAS Number

705974-42-1

Molecular Formula

C42H45IO22

Molecular Weight

1028.7

Accurate Mass

1028.1447

SMILES

COc1ccc(cc1OC(=O)C)C2=CC(=O)c3c(O)c(I)c(O[C@@H]4OC(CO[C@@H]5O[C@@H](C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]5OC(=O)C)[C@@H](OC(=O)C)C(OC(=O)C)[C@H]4OC(=O)C)cc3O2

InChI

InChI=1S/C42H45IO22/c1-16-35(57-18(3)45)37(59-20(5)47)39(61-22(7)49)41(55-16)54-15-31-36(58-19(4)46)38(60-21(6)48)40(62-23(8)50)42(65-31)64-30-14-29-32(34(52)33(30)43)25(51)13-27(63-29)24-10-11-26(53-9)28(12-24)56-17(2)44/h10-14,16,31,35-42,52H,15H2,1-9H3/t16-,31?,35-,36+,37-,38?,39-,40+,41+,42+/m0/s1

IUPAC

[5-[5-hydroxy-6-iodo-4-oxo-7-[(2S,3R,5R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]-2-methoxyphenyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat