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Substance Name: 22-Hydroxyvitamin D4
RN: 51504-03-1
InChIKey: XSQPEDUIZLIJNM-YMPPMCSHSA-N

Molecular Weight

  • 414.669
 
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Names and Synonyms

Name of Substance

  • 22-Hydroxyvitamin D4

Synonym

  • (22S)-22,23-Dihydro-22-hydroxyergocalciferol(22S)-9,10-secoergosta-5,7,10(19)-triene-3alpha,22-diol

Systematic Name

  • 9,10-Secoergosta-5,7,10(19)-triene-3,22-diol, (3beta,5Z,7E,22S)-

Registry Numbers

CAS Registry Number

  • 51504-03-1

System Generated Number

  • 0051504031

Structure Descriptors

InChI

1S/C28H46O2/c1-18(2)20(4)16-27(30)21(5)25-13-14-26-22(8-7-15-28(25,26)6)10-11-23-17-24(29)12-9-19(23)3/h10-11,18,20-21,24-27,29-30H,3,7-9,12-17H2,1-2,4-6H3/b22-10+,23-11-/t20-,21-,24+,25+,26-,27-,28+/m0/s1

InChIKey

XSQPEDUIZLIJNM-YMPPMCSHSA-N

Smiles

C1[C@H](C\C(=C\C=C2\[C@@H]3CC[C@@H]([C@@H]([C@H](C[C@H](C)C(C)C)O)C)[C@@]3(C)CCC2)C(C1)=C)O