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Substance Name: Clinoposaponin IX
RN: 159121-99-0
InChIKey: FWBQWFPKLKJKLW-GUPQKMISSA-N

Note

  • Isolated from Clinopodium chinense.

Molecular Formula

  • C36-H58-O9

Molecular Weight

  • 634.8452
 
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Names and Synonyms

Name of Substance

  • Clinoposaponin IX

Synonyms

  • 13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl-D-glucopyranoside
  • Saikogenin F 3-beta-D-glucoside
  • Saikogenin F 3-glucoside

Systematic Name

  • beta-D-Glucopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl

Registry Numbers

CAS Registry Number

  • 159121-99-0

System Generated Number

  • 0159121990

Structure Descriptors

InChI

1S/C36H58O9/c1-30(2)13-14-35-19-43-36(23(35)15-30)12-8-22-31(3)10-9-25(45-29-28(42)27(41)26(40)20(17-37)44-29)32(4,18-38)21(31)7-11-33(22,5)34(36,6)16-24(35)39/h8,12,20-29,37-42H,7,9-11,13-19H2,1-6H3/t20-,21-,22?,23-,24+,25+,26-,27+,28-,29+,31+,32+,33-,34+,35-,36+/m1/s1

InChIKey

FWBQWFPKLKJKLW-GUPQKMISSA-N

Smiles

CC1(C)CC[C@]23CO[C@@]4(C=CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1