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About This Item
Empirical Formula (Hill Notation):
C27H31ClO16
CAS Number:
Molecular Weight:
646.98
UNSPSC Code:
41116107
NACRES:
NA.24
MDL number:
grade
primary reference standard
product line
phyproof® Reference Substance
assay
≥98.0% (HPLC)
manufacturer/tradename
PhytoLab
application(s)
food and beverages
format
neat
storage temp.
−20°C
SMILES string
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]1O
InChI
1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
InChI key
QDVZZZBBPRFPDG-DHJOXOLYSA-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 sambucus
Legal Information
phyproof is a registered trademark of PhytoLab GmbH & Co. KG
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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