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Substance Name: Tetraacetylsecologanin
RN: 27856-66-2
InChIKey: XQVQOVDNWBXCHM-FYXMLKLGSA-N

Molecular Formula

  • C25-H32-O14

Molecular Weight

  • 556.514
 
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Names and Synonyms

Name of Substance

  • Tetraacetylsecologanin

Synonyms

  • O,O,O,O-Tetraacetylsecologanin
  • Secologanin tetraacetate

Systematic Name

  • Loniceroside, tetraacetate

Registry Numbers

CAS Registry Number

  • 27856-66-2

Other Registry Numbers

  • 21237-36-5
  • 361175-57-7
  • 863332-42-7

System Generated Number

  • 0027856662

Structure Descriptors

InChI

1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3/t16?,17?,19-,20-,21+,22-,24?,25+/m1/s1

InChIKey

XQVQOVDNWBXCHM-FYXMLKLGSA-N

Smiles

C=1([C@@H]([C@@H]([C@@H](OC1)O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O1)COC(=O)C)C=C)CC=O)C(=O)OC