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Substance Name: 1,24,25,26-Tetrahydroxyergocalciferol
RN: 103305-11-9
InChIKey: JIKNSRWYDSGVIZ-AAXCPYGVSA-N

Note

  • Metabolite of 1,25-dihydroxyvitamin D2.

Molecular Weight

  • 460.651
 
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Names and Synonyms

Name of Substance

  • 1,24,25,26-Tetrahydroxyergocalciferol

Synonym

  • 1,24,25,26-Tetrahydroxyvitamin D2

Registry Numbers

CAS Registry Number

  • 103305-11-9

System Generated Number

  • 0103305119

Structure Descriptors

InChI

1S/C28H44O5/c1-18(12-14-27(4,32)28(5,33)17-29)23-10-11-24-20(7-6-13-26(23,24)3)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8-,21-9-/t18-,22-,23-,24+,25+,26-,27-,28?/m1/s1

InChIKey

JIKNSRWYDSGVIZ-AAXCPYGVSA-N

Smiles

C1[C@@H](CC(=C/C=C2/CCC[C@@]3([C@H](CC[C@@H]23)[C@H](C)\C=C\[C@](C)([C@@](C)(CO)O)O)C)\C(=C)[C@H]1O)O