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Substance Name: Andrographic acid
RN: 760938-56-5
UNII: VJY4586I3K
InChIKey: IMDVHFGRDJPERC-YJCGLWNISA-N

Molecular Formula

  • C20-H28-O6

Molecular Weight

  • 364.4352
 
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Names and Synonyms

Name of Substance

  • Andrographic acid

Synonyms

  • 2-Butenedioic acid, 2-((1E)-2-((1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethenyl)-, (2Z)-
  • Andrographic acid
  • UNII-VJY4586I3K

Registry Numbers

CAS Registry Number

  • 760938-56-5

FDA UNII

  • VJY4586I3K

System Generated Number

  • 0760938565

Structure Descriptors

InChI

1S/C20H28O6/c1-12-4-7-15-19(2,9-8-16(22)20(15,3)11-21)14(12)6-5-13(18(25)26)10-17(23)24/h5-6,10,14-16,21-22H,1,4,7-9,11H2,2-3H3,(H,23,24)(H,25,26)/b6-5+,13-10-/t14-,15+,16-,19+,20+/m1/s1

InChIKey

IMDVHFGRDJPERC-YJCGLWNISA-N

Smiles

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