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Substance Name: Cimiracemoside J
RN: 473554-74-4
UNII: COX9Y7XL81
InChIKey: WUUHXBURWLJGRL-ZBTGPWHGSA-N

Molecular Formula

  • C37-H56-O10

Molecular Weight

  • 660.8394
 
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Names and Synonyms

Name of Substance

  • Cimiracemoside J

Synonyms

  • 12-O-Acetyl-25-anhydrocimigenol-3-o-alpha-L-arabinopyranoside
  • alpha-L-Arabinopyranoside, (3beta,12beta,15alpha,16alpha,23R,24S)-12-(acetyloxy)-16,23:16,24-diepoxy-15-hydroxy-9,19-cyclolanost-25-en-3-yl
  • Cimiracemoside J
  • Cimiracemoside J, (-)-
  • UNII-COX9Y7XL81

Registry Numbers

CAS Registry Number

  • 473554-74-4

FDA UNII

  • COX9Y7XL81

System Generated Number

  • 0473554744

Structure Descriptors

InChI

1S/C37H56O10/c1-17(2)28-21-13-18(3)29-34(8)25(44-19(4)38)14-36-16-35(36)12-11-24(45-30-27(41)26(40)20(39)15-43-30)32(5,6)22(35)9-10-23(36)33(34,7)31(42)37(29,46-21)47-28/h18,20-31,39-42H,1,9-16H2,2-8H3/t18-,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31-,33-,34-,35-,36+,37+/m1/s1

InChIKey

WUUHXBURWLJGRL-ZBTGPWHGSA-N

Smiles

C[C@@H]1C[C@@H]2[C@@H](O[C@]3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)OC(=O)C)C)O2)C(=C)C