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PHL80440

Ergocristine

phyproof® Reference Substance

Synonym(s):

12′-Hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18′-trione

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About This Item

Empirical Formula (Hill Notation):
C35H39N5O5
CAS Number:
511-08-0
Molecular Weight:
609.71
EC Number:
208-120-7
MDL number:
MFCD00215848
UNSPSC Code:
41116107
NACRES:
NA.24

grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥95.0% (HPLC)

manufacturer/tradename

PhytoLab

mp

155-157 °C (lit.)

application(s)

food and beverages

format

neat

SMILES string

CC(C)[C@@]5(NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O

InChI

1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1

InChI key

HEFIYUQVAZFDEE-MKTPKCENSA-N

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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

Legal Information

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

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral

Storage Class

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

wgk_germany

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
134564725
62688890

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