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Substance Name: 20-Oxopregnacalciferol
RN: 86120-56-1
InChIKey: PXXHJWCVGKGOFV-LQSHBAOPSA-N

Note

  • Side chain analog of vitamin D3.

Molecular Weight

  • 314.466
 
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Names and Synonyms

Name of Substance

  • 20-Oxopregnacalciferol

Synonym

  • 3beta-Hydroxy-9,10-secopregna-5,7,10(19)-triene-20-one

Systematic Name

  • Ethanone, 1-(octahydro-4-((5-hydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyl-1H-inden-1-yl)-, (1S-(1alpha,3abeta,4E(1Z,5R*),7aalpha))-

Registry Numbers

CAS Registry Number

  • 86120-56-1

System Generated Number

  • 0086120561

Structure Descriptors

InChI

1S/C21H30O2/c1-14-6-9-18(23)13-17(14)8-7-16-5-4-12-21(3)19(15(2)22)10-11-20(16)21/h7-8,18-20,23H,1,4-6,9-13H2,2-3H3/b16-7+,17-8-/t18-,19+,20+,21-/m0/s1

InChIKey

PXXHJWCVGKGOFV-LQSHBAOPSA-N

Smiles

CC(=O)[C@H]1CC[C@H]\2[C@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C