Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Lithospermate B
RN: 122021-74-3
UNII: 8V4R1E4C5Y
InChIKey: ANUBYMNVOPVATP-LKYMKJHQSA-L

Note

  • Major biologically active component of dan shen ; improves renal failure.

Classification Codes

  • Antioxidants
  • Free Radical Scavengers

Molecular Formula

  • C36-H28-Mg-O16

Molecular Weight

  • 740.9062
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Lithospermate B

Synonyms

  • Lithospermic acid B Mg complex
  • Magnesium lithospermate B
  • Magnesium tanshinoate B
  • UNII-8V4R1E4C5Y

Systematic Names

  • Magnesium, ((1R)-1-(carboxy-kappaO)-2-(3,4-dihydroxyphenyl)ethyl (2S,3S)-4-((1E)-3-((1R)-1-(carboxy-kappaO)-2-(3,4-dihydroxyphenyl)ethoxy)-3-(oxo-kappaO)-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-)-kappaO3')-, (T-4)-
  • Magnesium, (1-carboxy-2-(3,4-dihydroxyphenyl)ethyl 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-))-, (T-4-(2S-(2alpha,3beta(S*),4(E(S*)))))-

Registry Numbers

CAS Registry Number

  • 122021-74-3

FDA UNII

  • 8V4R1E4C5Y

Other Registry Numbers

  • 127854-48-2
  • 132428-45-6

System Generated Number

  • 0122021743

Structure Descriptors

InChI

1S/C36H30O16.Mg/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);/q;+2/p-2/b10-5+;/t27-,28-,31+,32-;/m1./s1

InChIKey

ANUBYMNVOPVATP-LKYMKJHQSA-L

Smiles

Oc1ccc(C[C@H]2OC3=[O][Mg+2]4([O]=C(O[C@H](Cc5ccc(O)c(O)c5)C(=O)[O-]4)[C@@H]6[C@H](Oc7c(O)ccc(\C=C\3)c67)c8ccc(O)c(O)c8)[O-]C2=O)cc1O