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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O2
Molecular Weight 232.3181
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVELLERAL

SMILES

C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]3CC(C)(C)C[C@H]23

InChI

InChIKey=PJAAESPGJOSQGZ-DZGBDDFRSA-N
InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20O2
Molecular Weight 232.3181
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
TRPA1 mediates the noxious effects of natural sesquiterpene deterrents.
2008-08-29
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:51:42 GMT 2025
Edited
by admin
on Mon Mar 31 18:51:42 GMT 2025
Record UNII
475W04BXJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-299922
Preferred Name English
ISOVELLERAL
Common Name English
CYCLOPROP(E)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3A,4,5,6,6A,6B-HEXAHYDRO-5,5,6B-TRIMETHYL-, (1AS-(1A-.ALPHA.,3A-.BETA.,6A-.BETA.,6B-.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
475W04BXJ7
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
CAS
37841-91-1
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
PUBCHEM
37839
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID201032002
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY
NSC
299922
Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025
PRIMARY