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5,6-trans-Vitamin D3 | 22350-41-0

Product Name:5,6-trans-Vitamin D3

CAS No:22350-41-0
MF:C27H44O
MW:384.63766
MDL:MFCD28133530
CID:250755
PubChem ID:5283711
Introduction
5,6-trans-Vitamin D3 (5,6-trans-Cholecalciferol;5,6-trans-Colecalciferol) 是维生素 D3 的光产物。Vitamin D3 是维生素 D 的天然形式,代谢激活后能诱导细胞分化和癌细胞增殖。
Names and Identifiers
  • Cyclohexanol,3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1S,3E)-
  • 5,6-trans-Vitamin D3
  • 3&beta
  • Cyclohexanol,3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene
  • (3S,5E,7E)-9,10-Secocholesta-5,7,10-trien-3-ol
  • MDL:MFCD28133530
  • InChIKey:QYSXJUFSXHHAJI-YRZJJWOYSA-N
  • Inchi:InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
  • SMILES:CC(CCC[C@H]([C@H]1CC[C@H]2/C(/CCC[C@]12C)=C/C=C1/C[C@@H](O)CCC/1=C)C)C
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 384.33900

Experimental Properties

  • LogP: 7.61900
  • PSA: 20.23000
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