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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O3
Molecular Weight 218.2485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLENCECALIN

SMILES

CC(=O)C1=CC2=C(OC(C)(C)C=C2)C=C1O

InChI

InChIKey=SVUVYHFYZBCYRF-UHFFFAOYSA-N
InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-363789
Preferred Name English
DESMETHYLENCECALIN
Common Name English
DE(METHYL)ENCECALIN
Common Name English
KETONE, 7-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL METHYL
Systematic Name English
EUPATORIOCHROMENE
Common Name English
6-ACETYL-7-HYDROXY-2,2-DIMETHYLCHROMENE
Systematic Name English
ETHANONE, 1-(7-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-
Systematic Name English
1-(7-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)ETHANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70172485
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
FDA UNII
O9Y1UY34HC
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
NSC
363789
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
CAS
19013-03-7
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
PUBCHEM
100768
Created by admin on Tue Apr 01 19:39:11 GMT 2025 , Edited by admin on Tue Apr 01 19:39:11 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of DESMETHYLENCECALIN
NIH
NCATS
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