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Substance Name: 1-Hydroxyvitamin D3 diacetate
RN: 41461-12-5
InChIKey: JRQYVHHHASBIEU-KMAMAKJRSA-N

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.716
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxyvitamin D3 diacetate

Synonyms

  • 1-HV D(3) Diacetate
  • 1alpha-Hydroxyvitamin D3 diacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41461-12-5

System Generated Number

  • 0041461125

Structure Descriptors

InChI

1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h13-14,20-21,27-30H,4,8-12,15-19H2,1-3,5-7H3/b25-13+,26-14-/t21-,27+,28?,29+,30-,31-/m1/s1

InChIKey

JRQYVHHHASBIEU-KMAMAKJRSA-N

Smiles

C1[C@H](C\C(=C\C=C2\[C@@H]3CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]3(C)CCC2)C([C@@H]1OC(C)=O)=C)OC(C)=O