PHL80440

Ergocristine

phyproof^® Reference Substance

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

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301 + H331
• Precautionary Statements: P261 - P264 - P301 + P310 + P330 - P304 + P340 + P311 - P403 + P233 - P501
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3