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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O4
Molecular Weight 374.5137
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CALCITROIC ACID

SMILES

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

InChI

InChIKey=MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCITROIC ACID
Common Name English
1.ALPHA.-HYDROXY-23-CARBOXY-24,25,26,27-TETRANORVITAMIN D3
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C39713
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
Code System Code Type Description
FDA UNII
F7KIE52YT0
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY
PUBCHEM
9547273
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY
WIKIPEDIA
CALCITROIC ACID
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY
CAS
71204-89-2
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY
NCI_THESAURUS
C107440
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY NCIT
EPA CompTox
DTXSID60904030
Created by admin on Fri Dec 15 18:17:23 GMT 2023 , Edited by admin on Fri Dec 15 18:17:23 GMT 2023
PRIMARY