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Substance Name: 1-Hydroxyprevitamin D3 diacetate
RN: 54712-17-3
InChIKey: YLYNCPGDKZTDMI-YRKUQGFYSA-N

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.716
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxyprevitamin D3 diacetate

Synonyms

  • 1-HPV D(3) diacetate
  • 1alpha-Hydroxyprevitamin D3 diacetate

Systematic Name

  • 9,10-Secocholesta-5(10),6,8-triene-1,3-diol, diacetate, (1alpha,3beta,6Z)-

Registry Numbers

CAS Registry Number

  • 54712-17-3

System Generated Number

  • 0054712173

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/h12-14,20-21,27-30H,8-11,15-19H2,1-7H3/b14-13-/t21-,27+,28?,29+,30-,31-/m1/s1

InChIKey

YLYNCPGDKZTDMI-YRKUQGFYSA-N

Smiles

C1[C@H](CC(\C=C/C=2[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