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Substance Name: 26-Deoxycimicifugoside
RN: 214146-75-5
UNII: 9H7XN615A3
InChIKey: PBKJAWKRZRAQQO-YTGDHQJGSA-N

Note

  • From the Rhizoma of Cimicifuga foetida.

Molecular Formula

  • C37-H54-O10

Molecular Weight

  • 658.8236
 
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Names and Synonyms

Name of Substance

  • 26-Deoxycimicifugoside

Synonyms

  • 26-Deoxycimicifugoside
  • 7,8-Didehydro-27-deoxyactein
  • beta-D-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanost-7-en-3-yl
  • UNII-9H7XN615A3

Registry Numbers

CAS Registry Number

  • 214146-75-5

FDA UNII

  • 9H7XN615A3

System Generated Number

  • 0214146755

Structure Descriptors

InChI

InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1

InChIKey

PBKJAWKRZRAQQO-YTGDHQJGSA-N

Smiles

C[C@@H]1C[C@]2(OC[C@@]3(C)O[C@@H]23)O[C@H]4C[C@@]5(C)C6=CC[C@H]7C(C)(C)[C@H](CC[C@@]78C[C@@]68C[C@@H](OC(=O)C)[C@]5(C)[C@@H]14)O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O