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Substance Name: delta-22-1,25S,26-Trihydroxyvitamin D3
RN: 144300-56-1
InChIKey: JYHXCOMHKCOBKF-PQVTVRGCSA-N

Molecular Formula

  • C27-H42-O4

Molecular Weight

  • 430.625
 
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Names and Synonyms

Name of Substance

  • delta-22-1,25S,26-Trihydroxyvitamin D3

Synonyms

  • 1,25S,26-Trihydroxy-delta22-cholecalciferol
  • delta22-1,25S,26-OHD3

Systematic Name

  • 9,10-Secocholesta-5,7,10(19),22-tetraene-1,3,25,26-tetrol, (3beta,5Z,7E,22E,25S)-

Registry Numbers

CAS Registry Number

  • 144300-56-1

System Generated Number

  • 0144300561

Structure Descriptors

InChI

1S/C27H42O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h5,7,9-10,18,22-25,28-31H,2,6,8,11-17H2,1,3-4H3/b7-5+,20-9-,21-10-

InChIKey

JYHXCOMHKCOBKF-PQVTVRGCSA-N

Smiles

C1CC[C@@]2([C@@H](CC[C@@H]2\C1=C/C=C1/C[C@@H](C[C@@H](C1=C)O)O)[C@@H](C)\C=C\C[C@@](CO)(O)C)C