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Substance Name: Emodin-8-O-beta-gentiobioside
RN: 66466-22-6
UNII: W2DPV427KS
InChIKey: CAWCIUJVWYETGQ-ONMHTNRHSA-N

Molecular Formula

  • C27-H30-O15

Molecular Weight

  • 594.519
 
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Names and Synonyms

Name of Substance

  • Emodin-8-O-beta-gentiobioside

Synonym

  • UNII-W2DPV427KS

Registry Numbers

CAS Registry Number

  • 66466-22-6

FDA UNII

  • W2DPV427KS

System Generated Number

  • 0066466226

Structure Descriptors

InChI

1S/C27H30O15/c1-8-2-10-16(12(30)3-8)21(34)17-11(18(10)31)4-9(29)5-13(17)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1

InChIKey

CAWCIUJVWYETGQ-ONMHTNRHSA-N

Smiles

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)C2=O