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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O2
Molecular Weight 236.3499
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERNANDULCIN

SMILES

[H][C@]1(CCC(C)=CC1=O)[C@@](C)(O)CCC=C(C)C

InChI

InChIKey=HYQNKKAJVPMBDR-HIFRSBDPSA-N
InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O2
Molecular Weight 236.3499
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Essential oil from leaves of Lippia dulcis grown in Colombia.
2010 Apr
A DFT analysis of thermal decomposition reactions important to natural products.
2010 Jul
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:41 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:41 GMT 2023
Record UNII
7V22TJL7NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HERNANDULCIN
Common Name English
(6S)-6-((2S)-2-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-3-METHYLCYCLOHEX-2-EN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30905099
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
CAS
95602-94-1
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
WIKIPEDIA
HERNANDULCIN
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
FDA UNII
7V22TJL7NX
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
PUBCHEM
125608
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY