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Substance Name: 25-Hydroxy-26,27-dimethylvitamin D3
RN: 116925-40-7
InChIKey: PYGGFMISRIMKTA-IBSHMIGKSA-N

Note

  • Potent analog of vitamin D3.

Molecular Formula

  • C29-H48-O2

Molecular Weight

  • 428.6962
 
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Names and Synonyms

Name of Substance

  • 25-Hydroxy-26,27-dimethylvitamin D3

Synonyms

  • 25-Hydroxy-26,27-dimethylcholecalciferol
  • 26,27-Dimethylcalcifediol

Systematic Name

  • 1H-Indene-1-Pentanol, alpha,alpha-diethyl-2,3,3a,6,7,7a-hexahydro-4-(2-(5-hydroxy-2-methyl-1-cyclohexen-1-yl)ethenyl)-epsilon,7a-dimethyl-, (1R-(1alpha(R*),3abeta,4(Z(S*)),7aalpha))-

Registry Numbers

CAS Registry Number

  • 116925-40-7

System Generated Number

  • 0116925407

Structure Descriptors

InChI

1S/C29H48O2/c1-6-22-20-27-28(4,18-15-23-19-25(31)14-13-21(23)3)16-10-17-29(27,5)26(22)12-9-8-11-24(30)7-2/h13-15,18,22,24-27,30-31H,6-12,16-17,19-20H2,1-5H3/b18-15-/t22?,24-,25+,26+,27+,28?,29-/m0/s1

InChIKey

PYGGFMISRIMKTA-IBSHMIGKSA-N

Smiles

CCC1C[C@H]2[C@]([C@@H]1CCCC[C@H](CC)O)(CCCC2(C)/C=C\C3=C(C=C[C@H](C3)O)C)C