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Substance Name: Alepposide B
RN: 146714-04-7
InChIKey: IMNHFZIFCBHSQR-GTRACWGGSA-N

Note

  • Isolated from Adonis aleppica.

Molecular Formula

  • C48-H74-O20

Molecular Weight

  • 971.0926
 
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Names and Synonyms

Name of Substance

  • Alepposide B

Synonyms

  • Alepposide-B
  • Strophanthidin-3-O-glucopyranosyl-(1-4)-O-beta-oleandropyranosyl-(1-4)-O-beta-digitoxopyranosyl-(1-4)-O-beta-digitoxopyranoside

Systematic Name

  • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 146714-04-7

System Generated Number

  • 0146714047

Structure Descriptors

InChI

1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23-,24-,26+,27-,28?,29?,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1

InChIKey

IMNHFZIFCBHSQR-GTRACWGGSA-N

Smiles

CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C=O)C6CC[C@]7(C)[C@H](CC[C@]7(O)C6CC[C@]5(O)C4)C8=CC(=O)OC8)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O