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Substance Name: 25-Hydroxyvitamin D3 3-sulfate ester
RN: 99447-30-0
InChIKey: UDUUTSLXXOJCED-QERGGUDLSA-N

Note

  • Major circulating form of vitamin D in man.

Molecular Formula

  • C27-H44-O5-S

Molecular Weight

  • 480.706
 
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Names and Synonyms

Name of Substance

  • 25-Hydroxyvitamin D3 3-sulfate ester

Synonyms

  • 25-Hydroxycholecalciferol 3-sulfate
  • Calcifediol-3-sulfate

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, 3-(hydrogen sulfate), (3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 99447-30-0

System Generated Number

  • 0099447300

Structure Descriptors

InChI

InChI=1S/C27H44O5S/c1-19-8-12-24(32-33(29,30)31)18-22(19)10-9-21-14-16-27(5)23(17-21)11-13-25(27)20(2)7-6-15-26(3,4)28/h9-10,20,23-25,28H,1,6-8,11-18H2,2-5H3,(H,29,30,31)/b21-9-,22-10-/t20-,23+,24+,25-,27+/m1/s1

InChIKey

UDUUTSLXXOJCED-QERGGUDLSA-N

Smiles

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C\C(=C/C=C\3/C[C@H](CCC3=C)OS(=O)(=O)O)\CC[C@]12C