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Product Overview

Product Code

TRC-B117950

CAS Number

113558-15-9

Product Format

Neat

Molecular Formula

C27 H30 O10

Molecular Weight

514.52

Product Categories

TRC, Natural Products

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Baohuoside I

CAS Number

113558-15-9

Molecular Formula

C27 H30 O10

Molecular Weight

514.52

Accurate Mass

514.1839

SMILES

COc1ccc(cc1)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)c4c(O)cc(O)c(CC=C(C)C)c4O2

InChI

InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1

IUPAC

5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Baohuoside I

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