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Substance Name: 25-Dehydrocholecalciferol
RN: 63819-60-3
InChIKey: JYGGSELSVHHQDI-YHJXBONMSA-N

Molecular Weight

  • 382.6278
 
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Names and Synonyms

Name of Substance

  • 25-Dehydrocholecalciferol

Systematic Name

  • 9,10-Secocholesta-5,7,10(19),25-tetraen-3-ol, (3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 63819-60-3

System Generated Number

  • 0063819603

Structure Descriptors

InChI

1S/C27H42O/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/h12-13,21,24-26,28H,1,3,6-11,14-18H2,2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1

InChIKey

JYGGSELSVHHQDI-YHJXBONMSA-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)O)C