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Substance Name: Andrographidin A
RN: 113963-37-4
UNII: KD098V596T
InChIKey: HTJQSWAVTHDBPX-PHKHNSMASA-N

Molecular Formula

  • C23-H26-O10

Molecular Weight

  • 462.4484
 
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Names and Synonyms

Name of Substance

  • Andrographidin A

Synonyms

  • 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-2,3-dihydro-7,8-dimethoxy-2-phenyl-, (2S)-
  • Andrographidin A
  • Andrographidine A
  • UNII-KD098V596T

Registry Numbers

CAS Registry Number

  • 113963-37-4

FDA UNII

  • KD098V596T

System Generated Number

  • 0113963374

Structure Descriptors

InChI

1S/C23H26O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-7,9,13,16,18-20,23-24,26-28H,8,10H2,1-2H3/t13-,16+,18+,19-,20+,23+/m0/s1

InChIKey

HTJQSWAVTHDBPX-PHKHNSMASA-N

Smiles

COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3C(=O)C[C@H](Oc3c1OC)c4ccccc4