Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Melandrioside A
RN: 142628-19-1
InChIKey: RJMAQKQCAFVGQF-UHFFFAOYSA-N

Note

  • From Melandrium firmum.

Molecular Weight

  • 941.067
 
* 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

  • Melandrioside A

Synonym

  • 3-O-(beta-D-Galactopyranosyl-(1-2)-(alpha-L-rhamnopyranosyl-(1-4))-beta-D-glucopyranosyl)melandrigenin

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,17alpha,21beta)-21-hydroxy-16,23-dioxo-28-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-galactopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 142628-19-1

System Generated Number

  • 0142628191

Structure Descriptors

InChI

1S/C47H72O19/c1-19-29(52)31(54)33(56)40(61-19)64-36-35(58)37(39(59)60)65-42(38(36)66-41-34(57)32(55)30(53)24(17-48)62-41)63-28-11-12-44(4)25(45(28,5)18-49)10-13-46(6)26(44)9-8-22-21-15-43(2,3)27(51)14-20(21)23(50)16-47(22,46)7/h8,18-21,24-38,40-42,48,51-58H,9-17H2,1-7H3,(H,59,60)

InChIKey

RJMAQKQCAFVGQF-UHFFFAOYSA-N

Smiles

C1(=O)[C@@H]2C[C@@H](O)C(C[C@@H]2C=2[C@@](C)(C1)[C@@]1([C@@H](CC2)[C@@]2([C@@H](CC1)[C@@]([C@@H](CC2)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C(O)=O)O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)(C=O)C)C)C)(C)C