Analyte Name

Monotropein

CAS Number

5945-50-6

Molecular Formula

C16 H22 O11

Molecular Weight

390.34

Accurate Mass

390.1162

SMILES

OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3C=C[C@](O)(CO)[C@@H]23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1

IUPAC

(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

FRANCE

Product Format

Neat

API Family

Morinda Root