Synonym: (2S,3S)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester; Dan Shen Suan B; Danfensuan B; Lithospermic acid B
CAS Number: 121521-90-2
Empirical Formula (Hill Notation): C36H30O16
Molecular Weight: 718.61
MDL Number: MFCD23115783
Linear Formula: C36H30O16
Product Type: Chemical
application(s) |
food and beverages |
assay |
≥90.0% (HPLC) |
format |
neat |
grade |
primary reference standard |
InChI |
1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 |
InChI key |
SNKFFCBZYFGCQN-VWUOOIFGSA-N |
manufacturer/tradename |
PhytoLab |
product line |
phyproof® Reference Substance |
SMILES string |
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c3O[C@@H]([C@@H](C(=O)O[C@H](Cc4ccc(O)c(O)c4)C(O)=O)c23)c5ccc(O)c(O)c5 |
storage temp. |
−20°C |
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 |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Purity |
≥90.0% (HPLC) |
Storage Temp. |
−20°C |
UNSPSC |
41116107 |