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Substance Name: Dehydroandrographolide
RN: 134418-28-3
UNII: TKB45D7LVX
InChIKey: YIIRVUDGRKEWBV-FZOOCBFYSA-N

Molecular Formula

  • C20-H28-O4

Molecular Weight

  • 332.4372
 
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Names and Synonyms

Name of Substance

  • Dehydroandrographolide

Synonyms

  • 2(3H)-Furanone, 3-(2-((1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-, (3E)-
  • Dehydroandrographolide
  • UNII-TKB45D7LVX

Registry Numbers

CAS Registry Number

  • 134418-28-3

FDA UNII

  • TKB45D7LVX

System Generated Number

  • 0134418283

Structure Descriptors

InChI

1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16+,17-,19+,20+/m1/s1

InChIKey

YIIRVUDGRKEWBV-FZOOCBFYSA-N

Smiles

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C=COC3=O)(C)CO)O