U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H46O
Molecular Weight 398.6642
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of VITAMIN D4

SMILES

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

InChI

InChIKey=DIPPFEXMRDPFBK-JPWDPSJFSA-N
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
VITAMIN D4
MI  
Common Name English
24S-METHYLCALCIOL
Common Name English
ERGOCALCIFEROL, 22,23-DIHYDRO-
Common Name English
9,10-SECOERGOSTA-5,7,10(19)-TRIEN-3-OL, (3.BETA.,5Z,7E)-
Common Name English
(5Z,7E)-9,10-SECOERGOSTA-5,7,10(19)-TRIEN-3.BETA.-OL
Systematic Name English
CYCLOHEXANOL, 4-METHYLENE-3-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1R,4S)-1,4,5-TRIMETHYLHEXYL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1S,3Z)-
Common Name English
ERGOCALCIFEROL IMPURITY G [EP IMPURITY]
Common Name English
22,23-DIHYDROVITAMIN D2
Common Name English
22,23-DIHYDROERCALCIOL
Common Name English
22-DIHYDROERGOCALCIFEROL(5Z,7E)-(3S)-9,10-SECO-5,7,10(19)-ERGOSTATRIEN-3-OL(24S)-METHYLCALCIOL
Common Name English
VITAMIN D4 (VD4)
Common Name English
VITAMIN D4 [MI]
Common Name English
22,23-DIHYDROERGOCALCIFEROL
Common Name English
Code System Code Type Description
EVMPD
SUB130765
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-127-5
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
PUBCHEM
5460703
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
SMS_ID
100000156724
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
WIKIPEDIA
Vitamin D4
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
CHEBI
33237
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
FDA UNII
KN41X73N6C
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID801026994
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY
MERCK INDEX
m11487
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY Merck Index
CAS
511-28-4
Created by admin on Fri Dec 15 19:44:27 GMT 2023 , Edited by admin on Fri Dec 15 19:44:27 GMT 2023
PRIMARY