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PHL89259

Primulic acid I

phyproof® Reference Substance

Synonym(s):

Primulasaponin I, Saponin PS 4

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About This Item

Empirical Formula (Hill Notation):
C54H88O23
CAS Number:
65312-86-9
Molecular Weight:
1105.26
UNSPSC Code:
41116107
NACRES:
NA.24
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥75.0% (HPLC)

manufacturer/tradename

PhytoLab

application(s)

food and beverages

format

neat

storage temp.

−20°C

SMILES string

O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)C(=O)O)O[C@@H]4C([C@H]5[C@@]([C@@H]6[C@]([C@]7([C@]8(OC[C@]9([C@H]8CC(CC9)(C)C)[C@@H](C7)O)CC6)C)(CC5)C)(CC4)C)(C)C)O[C@@H]3O[C@@H](

InChI

1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1

InChI key

DQUUSJCGJNQFPG-CBMAJASRSA-N

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG.

Other Notes

This compound is commonly found in plants of the genus: primula

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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