07512

α-Hederin

analytical standard

• Synonym(s): (3β,4α)-3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid
• Empirical Formula (Hill Notation): C₄₁H₆₆O₁₂
• CAS Number: 27013-91-8
• Molecular Weight: 750.96
• NACRES: NA.24
• UNSPSC Code: 85151701
• EC Number: 248-166-5

Properties

• grade: analytical standard
• Quality Segment: 100
• assay: ≥90.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤10.0% water
• application(s): food and beverages
• format: neat
• storage temp.: 2-8°C
• SMILES string: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O
• InChI: 1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
• InChI key: KEOITPILCOILGM-LLJOFIFVSA-N

Description

General description

α-Hederin is a water-soluble pentacyclic triterpene compound present in the seeds of Nigella sativa.

Application

α-Hederin may be used as an internal standard for the determination of glycyrrhizin and its major metabolite glycyrrhetic acid in human plasma by liquid chromatography/tandem mass spectrometry (LC−MS/MS). It may be used as an external standard for quinovic acid glycosides assay by high performance liquid chromatography-photodiode array detection (HPLC-PDA) as well as ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF-MS). It may be used as a reference standard for the identification of α-hederin in the leaves of common ivy (Hedera helix) by liquid chromatography-electrospray ionization tandem mass spectrometry (LC-EI/MS-MS).

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable