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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O
Molecular Weight 384.6377
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Cholecalciferol, (5E)-

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3\C[C@@H](O)CCC3=C

InChI

InChIKey=QYSXJUFSXHHAJI-FVUVGDFOSA-N
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

HIDE SMILES / InChI

Molecular Formula C27H44O
Molecular Weight 384.6377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:21:11 GMT 2025
Edited
by admin
on Wed Apr 02 15:21:11 GMT 2025
Record UNII
W28SLM7V6D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cholecalciferol, (5E)-
Common Name English
trans-Vitamin D3
Preferred Name English
9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3?,5E,7E)-
Systematic Name English
9,10-Secocholesta-5,7,10(19)-trien-3?-ol, (E,E)-
Systematic Name English
5,6-trans-Vitamin D3
Common Name English
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
Systematic Name English
CHOLECALCIFEROL IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
5283711
Created by admin on Wed Apr 02 15:21:11 GMT 2025 , Edited by admin on Wed Apr 02 15:21:11 GMT 2025
PRIMARY
FDA UNII
W28SLM7V6D
Created by admin on Wed Apr 02 15:21:11 GMT 2025 , Edited by admin on Wed Apr 02 15:21:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID901316617
Created by admin on Wed Apr 02 15:21:11 GMT 2025 , Edited by admin on Wed Apr 02 15:21:11 GMT 2025
PRIMARY
CAS
22350-41-0
Created by admin on Wed Apr 02 15:21:11 GMT 2025 , Edited by admin on Wed Apr 02 15:21:11 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY