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Substance Name: Sennoside B
RN: 128-57-4
UNII: F887D1637W
InChIKey: IPQVTOJGNYVQEO-AIFLABODSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H38-O20

Molecular Weight

  • 862.742
 
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Names and Synonyms

Name of Substance

  • Sennoside B

Synonyms

  • EINECS 204-895-0
  • NSC 112930
  • Sennoside B
  • UNII-F887D1637W

Systematic Name

  • Sennoside B

Registry Numbers

CAS Registry Number

  • 128-57-4

FDA UNII

  • F887D1637W

System Generated Number

  • 0000128574

Structure Descriptors

InChI

1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1

InChIKey

IPQVTOJGNYVQEO-AIFLABODSA-N

Smiles

O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1Oc1cccc2[C@H](c3cc(cc(O)c3C(c12)=O)C(=O)O)[C@@H]1c2c(C(c3c(cccc13)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)=O)c(cc(c2)C(=O)O)O)O)O)O)CO