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Substance Name: Saponarin dihydrate
RN: 11019-01-5
UNII: B3LI1S3ZJV
InChIKey: ZAFQLXXCXLWNGI-IKKNXKRYSA-N

Molecular Weight

  • 630.5486
 
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Names and Synonyms

Name of Substance

  • Saponarin dihydrate

Synonyms

  • 4H-1-Benzopyran-4-one, 6-beta-d-glucopyranosyl-7-(beta-d-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, dihydrate
  • UNII-B3LI1S3ZJV

Registry Numbers

CAS Registry Number

  • 11019-01-5

FDA UNII

  • B3LI1S3ZJV

System Generated Number

  • 0011019015

Structure Descriptors

InChI

1S/C27H30O15.2H2O/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9;;/h1-6,15-16,19-20,22-30,32-38H,7-8H2;2*1H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-;;/m1../s1

InChIKey

ZAFQLXXCXLWNGI-IKKNXKRYSA-N

Smiles

O.O.OC[C@H]1O[C@@H](Oc2cc3OC(=CC(=O)c3c(O)c2[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O