Return to Results Vitamin D3
CAS Registry Number®
67-97-0
CAS Name
Vitamin D3Molecular Formula
C27H44OMolecular Mass
384.64Cite this Page
Vitamin D3. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67-97-0 (retrieved ) (CAS RN: 67-97-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
84-85 °CDensity (2)
0.939 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Kangarlou, Sogol; International Journal of Pharmaceutics, (2008), 356(1-2), 153-166, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N
SMILES
C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Canonical SMILES
OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)C)C(=C)CC1
Other Names for this Substance
- Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)-
- Cholecalciferol
- 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5Z,7E)-
- (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
- Delsterol
Deleted or Replaced CAS Registry Numbers
8024-19-9, 8050-67-7
