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Substance Name: Trigoneoside IIA
RN: 187141-37-3
UNII: 35KP0AVB63
InChIKey: ISFAETRPBLFKQD-KTNFGKJSSA-N

Molecular Formula

  • C44-H74-O18

Molecular Weight

  • 891.0506
 
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Names and Synonyms

Name of Substance

  • Trigoneoside IIA

Synonyms

  • beta-D-Glucopyranoside, (3beta,5beta,25S)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl 6-o-beta-D-xylopyranosyl-
  • Trigoneoside IIA
  • Trigoneoside iia (constituent of fenugreek seed) [DSC]
  • Trigoneoside iia, (-)-
  • UNII-35KP0AVB63

Registry Numbers

CAS Registry Number

  • 187141-37-3

FDA UNII

  • 35KP0AVB63

System Generated Number

  • 0187141373

Structure Descriptors

InChI

1S/C44H74O18/c1-19(16-56-40-37(53)34(50)32(48)28(15-45)60-40)7-12-44(55)20(2)30-27(62-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)59-41-38(54)35(51)33(49)29(61-41)18-58-39-36(52)31(47)26(46)17-57-39/h19-41,45-55H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43-,44+/m0/s1

InChIKey

ISFAETRPBLFKQD-KTNFGKJSSA-N

Smiles

C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O