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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,8-DIMETHYL-5-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRO-2H-AZULEN-1-ONE, (3S,5R,8S)-

SMILES

C[C@H]1CC(=O)C2=C1C[C@@H](CC[C@@H]2C)C(C)=C

InChI

InChIKey=NUWMTBMCSQWPDG-SDDRHHMPSA-N
InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3,8-DIMETHYL-5-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRO-2H-AZULEN-1-ONE, (3S,5R,8S)-
Systematic Name English
GUAIA-1(5),11-DIEN-2-ONE, (-)-
Systematic Name English
FEMA NO. 4867
Code English
Code System Code Type Description
WIKIPEDIA
Rotundone
Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023
PRIMARY
CAS
18374-76-0
Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023
PRIMARY
FDA UNII
U33H52BQ0P
Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023
PRIMARY
PUBCHEM
5321003
Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID301030485
Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023
PRIMARY