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Substance Name: 1-Hydroxypregnacalciferol
RN: 58702-12-8
InChIKey: XMDLIEZJERQGEY-ZHFUSYIKSA-N

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.4818
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxypregnacalciferol

Synonyms

  • 1alpha-(OH)Pregnacalciferol
  • 1alpha-Hydroxypregnacalciferol

Systematic Name

  • 1,3-Cyclohexanediol, 5-((1-ethyloctahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S-(1alpha,3abeta,4E(Z(1S*,3R*))7aalpha))-

Registry Numbers

CAS Registry Number

  • 58702-12-8

System Generated Number

  • 0058702128

Structure Descriptors

InChI

1S/C21H32O2/c1-4-17-9-10-19-15(6-5-11-21(17,19)3)7-8-16-12-18(22)13-20(23)14(16)2/h7-8,17-20,22-23H,2,4-6,9-13H2,1,3H3/b15-7+,16-8-/t17-,18+,19-,20-,21+/m0/s1

InChIKey

XMDLIEZJERQGEY-ZHFUSYIKSA-N

Smiles

CC[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C