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Substance Name: Trigoneoside IA
RN: 187141-35-1
UNII: X025ZML0R1
InChIKey: TVNGRDSDHVARNR-RFLZHNRCSA-N

Molecular Formula

  • C44-H74-O19

Molecular Weight

  • 907.0496
 
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Names and Synonyms

Name of Substance

  • Trigoneoside IA

Synonyms

  • beta-D-Glucopyranoside, (2alpha,3beta,5alpha,22alpha,25S)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 6-o-beta-D-xylopyranosyl-
  • Trigoneoside IA
  • Trigoneoside ia, (-)-
  • UNII-X025ZML0R1

Registry Numbers

CAS Registry Number

  • 187141-35-1

FDA UNII

  • X025ZML0R1

System Generated Number

  • 0187141351

Structure Descriptors

InChI

1S/C44H74O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(46)13-43(20,4)22(21)8-9-42(23,30)3)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)25(47)16-58-39/h18-41,45-56H,5-17H2,1-4H3/t18-,19-,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

TVNGRDSDHVARNR-RFLZHNRCSA-N

Smiles

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O