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Substance Name: Neoandrographolide
RN: 27215-14-1
UNII: XBY0Z806J2
InChIKey: YGCYRQKJYWQXHG-RDNQFMDVSA-N

Note

  • Isolated from Andrographis paniculata.

Molecular Formula

  • C26-H40-O8

Molecular Weight

  • 480.594
 
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Names and Synonyms

Name of Substance

  • Neoandrographolide

Synonym

  • UNII-XBY0Z806J2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27215-14-1

FDA UNII

  • XBY0Z806J2

System Generated Number

  • 0027215141

Structure Descriptors

InChI

1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1

InChIKey

YGCYRQKJYWQXHG-RDNQFMDVSA-N

Smiles

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