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Substance Name: Taraxasterol
RN: 1059-14-9
UNII: 64SK2ERN9P
InChIKey: XWMMEBCFHUKHEX-ZJJHUPNDSA-N

Note

  • From Cirsium segetum.

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Taraxasterol

Synonyms

  • Isolactucerol
  • UNII-64SK2ERN9P

Systematic Names

  • 18alpha,19betaH-Urs-20(30)-en-3beta-ol
  • Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)-

Registry Numbers

CAS Registry Number

  • 1059-14-9

FDA UNII

  • 64SK2ERN9P

System Generated Number

  • 0001059149

Structure Descriptors

InChI

1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1

InChIKey

XWMMEBCFHUKHEX-ZJJHUPNDSA-N

Smiles

C1[C@H](O)C([C@@H]2CC[C@@]3([C@@H](CC[C@H]4[C@@]3(C)CC[C@@]3([C@@H]4[C@@H](C(CC3)=C)C)C)[C@@]2(C1)C)C)(C)C