Name: Benzoylpaeoniflorin
Brand: TRC
SKU: TRC-B208325

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Product Overview

Product Code

TRC-B208325

CAS Number

38642-49-8

Product Format

Neat

Molecular Formula

C30H32O12

Molecular Weight

584.57

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Analyte Name

Benzoylpaeoniflorin

CAS Number

38642-49-8

Molecular Formula

C30H32O12

Molecular Weight

584.57

Accurate Mass

584.19

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@]2([C@@]34COC(C5=CC=CC=C5)=O)C[C@H]3[C@@](O[C@@]4([H])O6)(O)C[C@@]26C)O[C@@H]1COC(C7=CC=CC=C7)=O

InChI

InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27?,28+,29-,30+/m1/s1

IUPAC

((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,3aR,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl benzoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat

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