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Substance Name: 1,25-Dihydroxy-16-ene-vitamin D3
RN: 124409-58-1
InChIKey: CZBGBNZNGSRTCH-XIJCJBARSA-N

Molecular Formula

  • C27-H42-O3

Molecular Weight

  • 414.626
 
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Names and Synonyms

Name of Substance

  • 1,25-Dihydroxy-16-ene-vitamin D3

Synonyms

  • (1alpha,3beta,5Z,7E)-9,10-Secocholesta-3,7,10(19),16-tetraene-1,3,25-triol
  • 1,25-(OH)2-16-Ene-D3

Systematic Name

  • 9,10-Secocholesta-3,7,10(19),16-tetraene-1,3,25-triol, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 124409-58-1

System Generated Number

  • 0124409581

Structure Descriptors

InChI

InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10,12,16,18,21,24-25,28-30H,2,6-9,11,13-15,17H2,1,3-5H3/b20-10+/t18-,21?,24+,25-,27-/m1/s1

InChIKey

CZBGBNZNGSRTCH-XIJCJBARSA-N

Smiles

C[C@H](CCCC(C)(C)O)C1=CC[C@H]2\C(=C\CC3C=C(O)C[C@@H](O)C3=C)\CCC[C@]12C