Analyte Name

Prim-O-glucosylcimifugin

CAS Number

80681-45-4

Molecular Formula

C22 H28 O11

Molecular Weight

468.45

Accurate Mass

468.1632

SMILES

COc1c2C[C@H](Oc2cc3OC(=CC(=O)c13)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)O

InChI

InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1

IUPAC

(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Product Format

Neat