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Substance Name: 22-Hydroxycholecalciferol
RN: 110927-46-3
InChIKey: OCHNORYGWPYCAK-BANFDOQOSA-N

Molecular Formula

  • C26-H24-O2

Molecular Weight

  • 400.6426
 
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Names and Synonyms

Name of Substance

  • 22-Hydroxycholecalciferol

Synonym

  • 22-Hydroxyvitamin D3

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-3,22-diol, (3beta,5Z,7E,22S)-

Registry Numbers

CAS Registry Number

  • 110927-46-3

System Generated Number

  • 0110927463

Structure Descriptors

InChI

1S/C27H44O2/c1-18(2)8-15-26(29)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(28)12-9-19(22)3/h10-11,18,20,23-26,28-29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,27+/m0/s1

InChIKey

OCHNORYGWPYCAK-BANFDOQOSA-N

Smiles

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