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Substance Name: Isotachysterol 3
RN: 22350-43-2
UNII: I627F2EB69
InChIKey: ZPZNWLRQHDLNNV-QVEMQNNUSA-N

Molecular Formula

  • C27-H44-O

Molecular Weight

  • 384.6436
 
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Names and Synonyms

Name of Substance

  • Isotachysterol 3

Synonyms

  • 9,10-Secocholesta-5(10),6,8(14)-trien-3-ol, (3beta,6E)-
  • 9,10-Secocholesta-5(10),6,8(14)-trien-3beta-ol, (E)-
  • Isotachysterol 3
  • Isotachysterol3
  • Toxisterol3 D3
  • UNII-I627F2EB69

Registry Numbers

CAS Registry Number

  • 22350-43-2

FDA UNII

  • I627F2EB69

System Generated Number

  • 0022350432

Structure Descriptors

InChI

1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-25,28H,6-11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,27-/m1/s1

InChIKey

ZPZNWLRQHDLNNV-QVEMQNNUSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3