Product Code

TRC-D459570

CAS Number

5088-75-5

Product Format

Neat

Molecular Formula

C21 H22 O9

Molecular Weight

418.394

Product Categories

TRC, Natural Products

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Neoliquiritin

CAS Number

5088-75-5

Molecular Formula

C21 H22 O9

Molecular Weight

418.394

Accurate Mass

418.126

SMILES

OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

IUPAC

(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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