Record Information
Version1.0
Creation date2015-10-09 22:30:00 UTC
Update date2017-01-19 02:36:20 UTC
FoodComEx IDPC000336
FoodDB RecordFDB012732
Chemical Information
NameVitamin D3
DescriptionConstituent of fish-liver oil, especies tuna oil. Antirachitic vitamin with approx. the same potency as vitamin D2 in humans Cholecalciferol (vitamin D3) is a steroid hormone that has long been known for its important role in regulating body levels of calcium and phosphorus, in mineralization of bone, and for the assimilation of Vitamin A. Vitamin D3 is found in many foods, some of which are bamboo shoots, processed cheese, alaska pollock, and celeriac.
CAS Number67-97-0
Structure
Thumb
Synonyms
SynonymSource
(+)-Vitamin D3biospider
(3beta,Z,7e)-9,10-Secocholesta-5,7,10(19)-trien-3-olHMDB
(5e,7e)-9,10-Secocholesta-5,7,10-trien-3-olHMDB
3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-olbiospider
9,10-Secocholesta-5,7,10-trien-3-olHMDB
9,10-Secocholesta-5,7,10(19)-trien-3-beta-olHMDB
9,10-Secocholesta-5,7,10(19)-trien-3-olHMDB
Activated 7-dehydrocholesterolmanual
Arachitolbiospider
Calcioldb_source
CCHMDB
CholecalciferolHMDB
Cholecalciferol D3HMDB
Cholecalciferol, BANdb_source
ColecalciferolHMDB
Colecalciferol, INNdb_source
D3-VigantolHMDB
Delsteroldb_source
Deparalbiospider
Devaronbiospider
Ebivitbiospider
Feracolbiospider
Granuvit D3biospider
Micro-deebiospider
Oleovitamin D3biospider
Provitinadb_source
Quintoxbiospider
Ricketondb_source
Riva-dbiospider
Trivitanbiospider
Vi-De3biospider
VidDe-3-hydrosolHMDB
VidekholHMDB
Vigantolbiospider
Vigorsandb_source
Vitamin D3db_source
Vitinc dan-dee-3HMDB
Chemical FormulaC27H44O
IUPAC name(3E)-3-{2-[(4E)-7a-methyl-1-(6-methylheptan-2-yl)-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
InChI IdentifierInChI=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+
InChI KeyQYSXJUFSXHHAJI-FWSOMWAYSA-N
Isomeric SMILESCC(C)CCCC(C)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C
Average Molecular Weight384.6377
Monoisotopic Molecular Weight384.33921603
Chemical Taxonomy
Description Belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassVitamin D and derivatives
Direct ParentVitamin D and derivatives
Alternative Parents
Substituents
  • Triterpenoid
  • Cyclic alcohol
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 87-88°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 4 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci K119
Cayman Chemical 11792
Cayman Chemical HMDB0000876
Glentham GV0048
MetaSci HMDB0000876
Toronto Research Chemicals V676045