PHL82516

Digitoxin

phyproof^® Reference Substance

• Synonym(s): 5β,20(22)-Cardenolide-3β,14-diol-3-(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy, Digitoxoside, Lanatoxin
• Empirical Formula (Hill Notation): C₄₁H₆₄O₁₃
• CAS Number: 71-63-6
• Molecular Weight: 764.94
• NACRES: NA.24
• UNSPSC Code: 41116107
• Beilstein/REAXYS Number: 76678
• MDL number: MFCD00003686

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• assay: ≥95.0% (HPLC)
• manufacturer/tradename: PhytoLab
• mp: 240 °C (dec.) (lit.)
• format: neat
• SMILES string: [H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])CC[C@]7(C)[C@]([H])(CC[C@]67O)C8=CC(=O)OC8)C4
• InChI: 1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
• InChI key: WDJUZGPOPHTGOT-XUDUSOBPSA-N
• Gene Information: human ... ATP1A1(476), ATP1A2(477), ATP1A3(478), ATP1A4(480), ATP1B1(481), ATP1B2(482), ATP1B3(483), FXYD2(486)

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,GHS08
• signalword: Danger
• hcodes: H300,H331,H373
• pcodes: P260 - P264 - P271 - P301 + P310 - P304 + P340 + P311 - P314
• Hazard Classifications: Acute Tox. 2 Oral - Acute Tox. 3 Inhalation - STOT RE 2
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 3