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Substance Name: 3-Fluoro-9,10-secocholestatrien-5,7,10(19)
RN: 53839-02-4
InChIKey: MDVGYNPTLLBSNB-YRZJJWOYSA-N

Molecular Formula

  • C27-H43-F

Molecular Weight

  • 386.6347
 
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Names and Synonyms

Name of Substance

  • 3-Fluoro-9,10-secocholestatrien-5,7,10(19)

Synonym

  • 3alpha-Fluoro-9,10-secocholestatrien-5,7,10(19)

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene, 3-fluoro-, (3alpha)-

Registry Numbers

CAS Registry Number

  • 53839-02-4

System Generated Number

  • 0053839024

Structure Descriptors

InChI

1S/C27H43F/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/h12-13,19,21,24-26H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

InChIKey

MDVGYNPTLLBSNB-YRZJJWOYSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)F)C