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Substance Name: 26R-Actein
RN: 947160-03-4
UNII: QG6340JS5Z
InChIKey: NEWMWGLPJQHSSQ-RXCADDNGSA-N

Molecular Formula

  • C37-H56-O11

Molecular Weight

  • 676.8384
 
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Names and Synonyms

Name of Substance

  • 26R-Actein

Synonyms

  • 26(R)-Actein
  • 26R-Actein
  • 26R-Actein (constituent of Black cohosh) [DSC]
  • beta-D-Xylopyranoside, (3beta,12beta,16beta,23R,24R,25S,26R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl
  • UNII-QG6340JS5Z

Registry Numbers

CAS Registry Number

  • 947160-03-4

FDA UNII

  • QG6340JS5Z

System Generated Number

  • 0947160034

Structure Descriptors

InChI

1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,32+,33-,34+,35-,36+,37-/m1/s1

InChIKey

NEWMWGLPJQHSSQ-RXCADDNGSA-N

Smiles

C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C