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Substance Name: Actaeaepoxide-3-o-beta-D-xylopyranoside
RN: 356522-35-5
UNII: Q46GZJ671C
InChIKey: CNSJLMJKDVWQGM-VYBDBSRDSA-N

Molecular Formula

  • C37-H56-O11

Molecular Weight

  • 676.8384
 
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Names and Synonyms

Name of Substance

  • Actaeaepoxide-3-o-beta-D-xylopyranoside

Synonyms

  • Actaeaepoxide-3-o-beta-D-xylopyranoside
  • Actaeaepoxide-3-o-beta-D-xylopyranoside, (-)-
  • beta-D-Xylopyranoside, (3beta,12beta,16beta,22R,23R,24S)-12-(acetyloxy)-16,23:23,24-diepoxy-22,25-dihydroxy-9,19-cyclolanost-7-en-3-yl
  • UNII-Q46GZJ671C

Registry Numbers

CAS Registry Number

  • 356522-35-5

FDA UNII

  • Q46GZJ671C

System Generated Number

  • 0356522355

Structure Descriptors

InChI

InChI=1S/C37H56O11/c1-17-25-20(47-37(28(17)42)30(48-37)32(5,6)43)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36-,37+/m0/s1

InChIKey

CNSJLMJKDVWQGM-VYBDBSRDSA-N

Smiles

C[C@@H]1[C@@H](O)[C@@]2(O[C@H]3C[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57C[C@@H](OC(=O)C)[C@]4(C)[C@@H]13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)O[C@H]2C(C)(C)O