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Substance Name: 8(14)a-Homocalcitriol
RN: 145459-22-9
InChIKey: WGTOPFVLLJBMFZ-QXTVKLKRSA-N

Molecular Formula

  • C28-H46-O3

Molecular Weight

  • 430.668
 
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Names and Synonyms

Name of Substance

  • 8(14)a-Homocalcitriol

Synonyms

  • (5Z,7E)-(1S,3R)-8(14a)-Homo-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
  • ZK 150123

Systematic Name

  • C(14a)-Home-9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 145459-22-9

System Generated Number

  • 0145459229

Structure Descriptors

InChI

1S/C28H46O3/c1-19(8-6-14-27(3,4)31)25-13-12-23-16-21(9-7-15-28(23,25)5)10-11-22-17-24(29)18-26(30)20(22)2/h10-11,19,23-26,29-31H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23+,24-,25-,26+,28+/m1/s1

InChIKey

WGTOPFVLLJBMFZ-QXTVKLKRSA-N

Smiles

C1\C(=C/C=C2/C[C@H](C[C@@H](C2=C)O)O)C[C@H]2[C@@](CC1)([C@H](CC2)[C@@H](CCCC(O)(C)C)C)C