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Substance Name: 1-alpha,25-Dihydroxycholecalciferol
RN: 59783-84-5
InChIKey: TYJOVVWNIKRQJE-YGLUWJMBSA-N

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.642
 
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Names and Synonyms

Results Name

  • 1-alpha,25-Dihydroxycholecalciferol

Synonym

  • 1-alpha,25-Dihydroxycholecalciferol

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-1,2,3-triol, (1alpha,2alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 59783-84-5

System Generated Number

  • 0059783845

Structure Descriptors

InChI

1S/C27H44O3/c1-17(2)8-6-9-18(3)22-13-14-23-20(10-7-15-27(22,23)5)11-12-21-16-24(28)26(30)25(29)19(21)4/h11-12,17-18,22-26,28-30H,4,6-10,13-16H2,1-3,5H3/b20-11+,21-12-/t18-,22-,23+,24+,25+,26-,27-/m1/s1

InChIKey

TYJOVVWNIKRQJE-YGLUWJMBSA-N

Smiles

C\1[C@@H]([C@H]([C@H](C(C1=C\C=C1\[C@@H]2CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]2(C)CCC1)=C)O)O)O