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Substance Name: Acetylthevetin A, (all O-acetyl)-
RN: 63971-10-8
UNII: 6H3828433I
InChIKey: BODNAXGZMZECKO-YZQHKENLSA-N

Molecular Formula

  • C58-H80-O27

Molecular Weight

  • 1209.243
 
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Names and Synonyms

Name of Substance

  • Acetylthevetin A, (all O-acetyl)-

Synonyms

  • Acetylthevetin A, (all O-acetyl)-
  • Card-20(22)-enolide, 14-hydroxy-19-oxo-3-((o-2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl-(1->6)-o-2,3,4-tri-O-acetyl-beta-D-glucopyranosyl-(1->4)-2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-, (3beta,5beta)-
  • Thevetin A acetyl derivative [MI]
  • UNII-6H3828433I

Registry Numbers

CAS Registry Number

  • 63971-10-8

FDA UNII

  • 6H3828433I

System Generated Number

  • 0063971108

Structure Descriptors

InChI

1S/C58H80O27/c1-26-44(47(70-11)50(79-32(7)65)54(74-26)82-37-14-18-57(25-59)36(21-37)12-13-40-39(57)15-17-56(10)38(16-19-58(40,56)69)35-20-43(68)72-22-35)85-55-52(81-34(9)67)49(78-31(6)64)46(76-29(4)62)42(84-55)24-73-53-51(80-33(8)66)48(77-30(5)63)45(75-28(3)61)41(83-53)23-71-27(2)60/h20,25-26,36-42,44-55,69H,12-19,21-24H2,1-11H3/t26-,36+,37-,38+,39-,40+,41+,42+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56+,57+,58-/m0/s1

InChIKey

BODNAXGZMZECKO-YZQHKENLSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)OC(=O)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C