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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CALCIFEDIOL ANHYDROUS

SMILES

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

InChI

InChIKey=JWUBBDSIWDLEOM-DTOXIADCSA-N
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 400.6371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:00:10 UTC 2018
Edited
by admin
on Tue Mar 06 11:00:10 UTC 2018
Record UNII
T0WXW8F54E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIFEDIOL ANHYDROUS
Common Name English
CALCIFEDIOL, ANHYDROUS
Common Name English
CALCIFEDIOL,ANHYDROUS
VANDF  
Common Name English
CALCIFEDIOL [MI]
Common Name English
CALCIFEDIOL [INN]
Common Name English
CALCIFEDIOL,ANHYDROUS [VANDF]
Common Name English
Classification Tree Code System Code
WHO-ATC A11CC06
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
Code System Code Type Description
INN
3057
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
MERCK INDEX
M2911
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY Merck Index
DRUG BANK
DB00146
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
PUBCHEM
5283731
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY SWITZERF
NCI_THESAURUS
C77155
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
EVMPD
SUB06045MIG
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
EPA CompTox
19356-17-3
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
RXCUI
1855064
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
ECHA (EC/EINECS)
242-990-9
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY
CAS
19356-17-3
Created by admin on Tue Mar 06 11:00:10 UTC 2018 , Edited by admin on Tue Mar 06 11:00:10 UTC 2018
PRIMARY