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

Details

Stereochemistry RACEMIC
Molecular Formula C25H36O2
Molecular Weight 368.5521
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DI-TERT-BUTYL HYDROXYBENZYLIDENE CAMPHOR

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)\C=C2/[C@@H]3CC[C@](C)(C2=O)C3(C)C

InChI

InChIKey=AYNVFOYKBKUQQR-KMJWFZQASA-N
InChI=1S/C25H36O2/c1-22(2,3)18-13-15(14-19(20(18)26)23(4,5)6)12-16-17-10-11-25(9,21(16)27)24(17,7)8/h12-14,17,26H,10-11H2,1-9H3/b16-12+/t17-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H36O2
Molecular Weight 368.5521
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:18:50 GMT 2025
Edited
by admin
on Mon Mar 31 18:18:50 GMT 2025
Record UNII
F9JTI39APT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DI-T-BUTYL HYDROXYBENZYLIDENE CAMPHOR
INCI  
INCI  
Preferred Name English
DI-TERT-BUTYL HYDROXYBENZYLIDENE CAMPHOR
Systematic Name English
MEXORYL SAD
Brand Name English
BICYCLO(2.2.1)HEPTAN-2-ONE, 3-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYLENE)-1,7,7-TRIMETHYL-
Systematic Name English
BICYCLO(2.2.1)HEPTAN-2-ONE, 3-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYLENE)-1,7,7-TRIMETHYL-, (±)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001021188
Created by admin on Mon Mar 31 18:18:50 GMT 2025 , Edited by admin on Mon Mar 31 18:18:50 GMT 2025
PRIMARY
PUBCHEM
76970798
Created by admin on Mon Mar 31 18:18:50 GMT 2025 , Edited by admin on Mon Mar 31 18:18:50 GMT 2025
PRIMARY
CAS
123013-10-5
Created by admin on Mon Mar 31 18:18:50 GMT 2025 , Edited by admin on Mon Mar 31 18:18:50 GMT 2025
PRIMARY
FDA UNII
F9JTI39APT
Created by admin on Mon Mar 31 18:18:50 GMT 2025 , Edited by admin on Mon Mar 31 18:18:50 GMT 2025
PRIMARY
CAS
153322-02-2
Created by admin on Mon Mar 31 18:18:50 GMT 2025 , Edited by admin on Mon Mar 31 18:18:50 GMT 2025
ALTERNATIVE