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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 NOOTKATONE

SMILES

C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C

InChI

InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:28:28 UTC 2023
Edited
by admin
on Fri Dec 15 21:28:28 UTC 2023
Record UNII
IZ2Y119N4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOOTKATONE
FHFI   MI  
INCI  
Official Name English
4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLENE-ETHYL)-2(3H)-NAPHTHALENONE
Common Name English
NOOTKANONE
Common Name English
4,4A,5,6,7,8-HEXAHYDRO-6-ISO-PROPENYL-4,4A-DIMETHYL-2(3H)-NAPHTHALENONE
Common Name English
4.BETA.H,5.ALPHA.-EREMOPHILA-1(10),11-DIEN-2-ONE
Common Name English
NOOTKATONE [MI]
Common Name English
NOOTKATONE [FHFI]
Common Name English
2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-, (4R,4AS,6R)-
Common Name English
2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-, (4R-(4.ALPHA.,4A.ALPHA.,6.BETA.))-
Common Name English
5,6-DIMETHYL-8-ISOPROPENYL-BICYCLO(4,4,0)-DEC-1-EN-3-ONE
Systematic Name English
(+)-NOOTKATONE
Common Name English
FEMA NO. 4941
Code English
Classification Tree Code System Code
JECFA EVALUATION NOOTKATONE
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
Code System Code Type Description
PUBCHEM
1268142
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
CHEBI
81377
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID8047050
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
WIKIPEDIA
NOOTKATONE
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
CAS
4674-50-4
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
SMS_ID
100000170314
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
HSDB
8272
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
ECHA (EC/EINECS)
225-124-4
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
MERCK INDEX
m8040
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY Merck Index
FDA UNII
IZ2Y119N4J
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
EVMPD
SUB184201
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY
JECFA MONOGRAPH
1397
Created by admin on Fri Dec 15 21:28:28 UTC 2023 , Edited by admin on Fri Dec 15 21:28:28 UTC 2023
PRIMARY