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Substance Name: 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
RN: 109947-25-3
InChIKey: CIYNDEHOHLAUJG-XXEMARPHSA-N

Note

  • Metabolite of vitamin D3.

Molecular Formula

  • C27-H42-O3

Molecular Weight

  • 414.626
 
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Names and Synonyms

Name of Substance

  • 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one

Synonyms

  • 8,25-(OH)2-3-Oxoneo-D3
  • Dsco/*bi

Systematic Name

  • 9,10-Secocholesta-4,6,10(19)-trien-3-one, 8,25-dihydroxy-, (8alpha)-

Registry Numbers

CAS Registry Number

  • 109947-25-3

System Generated Number

  • 0109947253

Structure Descriptors

InChI

1S/C27H42O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,23-24,29-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,23-,24-,26-,27-/m1/s1

InChIKey

CIYNDEHOHLAUJG-XXEMARPHSA-N

Smiles

C1(CCC(C(=C1)\C=C\[C@]1([C@@H]2CC[C@@H]([C@@H](CCCC(C)(C)O)C)[C@@]2(C)CCC1)O)=C)=O