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Substance Name: 1-alpha, 25-Difluorovitamin D3
RN: 78609-64-0
InChIKey: ZCOQGKODTOOFPT-NNWVEHAGSA-N

Molecular Weight

  • 420.624
 
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Names and Synonyms

Name of Substance

  • 1-alpha, 25-Difluorovitamin D3

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 1,25-difluoro-, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 78609-64-0

System Generated Number

  • 0078609640

Structure Descriptors

InChI

1S/C27H42F2O/c1-18(8-6-14-26(3,4)29)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(30)17-25(28)19(21)2/h10-11,18,22-25,30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25-,27-/m1/s1

InChIKey

ZCOQGKODTOOFPT-NNWVEHAGSA-N

Smiles

C1[C@H](C\C(=C\C=C2\[C@@H]3CC[C@@H]([C@@H](CCCC(C)(C)F)C)[C@@]3(C)CCC2)C([C@@H]1F)=C)O