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Substance Name: 26-Homo-1,25-dihydroxyvitamin D3
RN: 105687-81-8
InChIKey: QRBVGIIEIQPZJM-HEASHCKFSA-N

Molecular Formula

  • C28-H46-O3

Molecular Weight

  • 430.6684
 
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Names and Synonyms

Name of Substance

  • 26-Homo-1,25-dihydroxyvitamin D3

Synonym

  • 26-Homo-calcitriol

Systematic Name

  • 27-Nor-9,7-secocholesta-5,7,10(19)triene-1,3,25-triol,25-ethyl-, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 105687-81-8

System Generated Number

  • 0105687818

Structure Descriptors

InChI

1S/C28H46O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h11-12,19,23-26,29-31H,3,6-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t19-,23+,24+,25-,26-,27?,28+/m0/s1

InChIKey

QRBVGIIEIQPZJM-HEASHCKFSA-N

Smiles

CCC(C)(CCC[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