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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H28O4
Molecular Weight 296.4018
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANACETOL B

SMILES

CC(=O)O[C@@H]1CC(=C)[C@@H](O)C[C@@H](CC\C(C)=C\1)C(C)(C)O

InChI

InChIKey=WAGDOKQHNWIHJF-UHITTWDOSA-N
InChI=1S/C17H28O4/c1-11-6-7-14(17(4,5)20)10-16(19)12(2)9-15(8-11)21-13(3)18/h8,14-16,19-20H,2,6-7,9-10H2,1,3-5H3/b11-8+/t14-,15+,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H28O4
Molecular Weight 296.4018
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:09 GMT 2023
Record UNII
ZVR767631F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TANACETOL B
Common Name English
5-CYCLODECENE-1,4-DIOL, 9-(1-HYDROXY-1-METHYLETHYL)-6-METHYL-2-METHYLENE-, 4-ACETATE, (1S-(1R*,4S*,5E,9S*))-
Systematic Name English
5-CYCLODECENE-1,4-DIOL, 9-(1-HYDROXY-1-METHYLETHYL)-6-METHYL-2-METHYLENE-, 4-ACETATE, (1S,4R,5E,9R)-
Systematic Name English
TANACETOL-B
Common Name English
NSC-376681
Code English
Code System Code Type Description
EPA CompTox
DTXSID201113769
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
PUBCHEM
5458902
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
NSC
376681
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
CAS
86787-28-2
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
FDA UNII
ZVR767631F
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY