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Substance Name: 1,25-Dihydroxy-26,27-dihomo-22-ene-vitamin D3
RN: 134508-36-4
InChIKey: WHWKLKACDYYBGB-UFUMXLEGSA-N

Molecular Formula

  • C29-H46-O3

Molecular Weight

  • 442.6794
 
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Names and Synonyms

Name of Substance

  • 1,25-Dihydroxy-26,27-dihomo-22-ene-vitamin D3

Synonyms

  • 1,25-Dde-D3
  • 1,25-Dihydroxy-26,27-dihomo-22-ene-cholecalciferol

Systematic Name

  • 1,3-Cyclohexanediol, 5-((1,(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-

Registry Numbers

CAS Registry Number

  • 134508-36-4

System Generated Number

  • 0134508364

Structure Descriptors

InChI

1S/C29H46O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h8,10,12-13,20,24-27,30-32H,4,6-7,9,11,14-19H2,1-3,5H3/b10-8+,22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1

InChIKey

WHWKLKACDYYBGB-UFUMXLEGSA-N

Smiles

CCC(CC)(C/C=C/[C@@H](C)[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)O