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Substance Name: 23-epi-26-Deoxyactein
RN: 501938-01-8
UNII: 2A97XP2V7I
InChIKey: GCMGJWLOGKSUGX-WUHYQCRDSA-N

Note

  • 23-epi-26-deoxyactein was previously designated as "27-deoxyactein"; from the roots/rhizomes of Cimicifuga racemosa.

Molecular Formula

  • C37-H56-O10

Molecular Weight

  • 660.8394
 
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Names and Synonyms

Name of Substance

  • 23-epi-26-Deoxyactein

Synonyms

  • 23-epi-26-deoxy-actein
  • 23-epi-26-Deoxyactein
  • 23-epi-26-Deoxyactein (constituent of Black cohosh) [DSC]
  • beta-D-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26: 24,25-triepoxy-9,19-cyclolanostan-3-yl
  • UNII-2A97XP2V7I

Registry Numbers

CAS Registry Number

  • 501938-01-8

FDA UNII

  • 2A97XP2V7I

System Generated Number

  • 0501938018

Structure Descriptors

InChI

InChI=1S/C37H56O10/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/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37-/m1/s1

InChIKey

GCMGJWLOGKSUGX-WUHYQCRDSA-N

Smiles

C[C@@H]1C[C@@]2(OC[C@@]3(C)O[C@@H]23)O[C@H]4C[C@@]5(C)[C@@H]6CC[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