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Substance Name: 14-Deoxyandrographoside
RN: 82209-72-1
UNII: Z87B39FVT4
InChIKey: MEEPUSVTMHGIPC-MVGASCEISA-N

Note

  • From Andrographis paniculata Nees.

Molecular Weight

  • 496.593
 
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Names and Synonyms

Name of Substance

  • 14-Deoxyandrographoside

Synonym

  • UNII-Z87B39FVT4

Systematic Name

  • 2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,6alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 82209-72-1

FDA UNII

  • Z87B39FVT4

System Generated Number

  • 0082209721

Structure Descriptors

InChI

1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

InChIKey

MEEPUSVTMHGIPC-MVGASCEISA-N

Smiles

C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]13