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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

[H][C@@]12CC(C)(C)C[C@]1([H])[C@@]3(C)C[C@@]3(C=O)C(C=O)=C2

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 Aug 29
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:45 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:45 GMT 2023
Record UNII
475W04BXJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
NSC-299922
Code English
Code System Code Type Description
FDA UNII
475W04BXJ7
Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023
PRIMARY
CAS
37841-91-1
Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023
PRIMARY
PUBCHEM
37839
Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID201032002
Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023
PRIMARY
NSC
299922
Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023
PRIMARY