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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 Epicholecalciferol

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](O)CCC3=C)[C@H](C)CCCC(C)C

InChI

InChIKey=QYSXJUFSXHHAJI-YHJXBONMSA-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

Approval Year

Name Type Language
Epicholecalciferol
Common Name English
3-epi-Vitamin D3
Common Name English
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
Systematic Name English
Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3Z)-
Systematic Name English
9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3α,5Z,7E)-
Systematic Name English
Code System Code Type Description
FDA UNII
2PNV64AM2H
Created by admin on Sat Dec 16 19:31:27 GMT 2023 , Edited by admin on Sat Dec 16 19:31:27 GMT 2023
PRIMARY
PUBCHEM
5283710
Created by admin on Sat Dec 16 19:31:27 GMT 2023 , Edited by admin on Sat Dec 16 19:31:27 GMT 2023
PRIMARY
CAS
57651-82-8
Created by admin on Sat Dec 16 19:31:27 GMT 2023 , Edited by admin on Sat Dec 16 19:31:27 GMT 2023
PRIMARY