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Substance Name: 10-Ketovitamin D3
RN: 95480-84-5
InChIKey: YXLJDOQKSXHDDA-HFFWFVFZSA-N

Molecular Weight

  • 386.616
 
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Names and Synonyms

Name of Substance

  • 10-Ketovitamin D3

Synonyms

  • 10-Keto-vitamin D3
  • 10-Ketocholecalciferol
  • Cholecalciferol-10-one

Systematic Name

  • 19-Nor-9,10-secocholesta-5,7-dien-4-one, 1-hydroxy-, (1alpha,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 95480-84-5

System Generated Number

  • 0095480845

Structure Descriptors

InChI

1S/C26H42O2/c1-18(2)6-5-7-19(3)24-14-12-22-11-9-20(17-26(22,24)4)8-10-21-16-23(27)13-15-25(21)28/h8,10,18-19,22-24,27H,5-7,9,11-17H2,1-4H3/b20-8+,21-10-/t19-,22-,23+,24-,26+/m1/s1

InChIKey

YXLJDOQKSXHDDA-HFFWFVFZSA-N

Smiles

C1[C@H](O)CC(=C/C=C2/C[C@@]3([C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)CC2)C)\C(=O)C1