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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O2
Molecular Weight 210.3126
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-OXA-7,11,11-TRIMETHYLBICYCLO-(5.4.0)UNDECAN-3-ONE

SMILES

[H][C@@]12CC(=O)OCC[C@@]1(C)CCCC2(C)C

InChI

InChIKey=CMIIIOPFYNCZPR-GXFFZTMASA-N
InChI=1S/C13H22O2/c1-12(2)5-4-6-13(3)7-8-15-11(14)9-10(12)13/h10H,4-9H2,1-3H3/t10-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H22O2
Molecular Weight 210.3126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:45 UTC 2023
Edited
by admin
on Sat Dec 16 08:06:45 UTC 2023
Record UNII
QD67606M0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-OXA-7,11,11-TRIMETHYLBICYCLO-(5.4.0)UNDECAN-3-ONE
Common Name English
3-BENZOXEPIN-2(1H)-ONE, OCTAHYDRO-5A,9,9-TRIMETHYL-, (5AR-TRANS)-
Common Name English
Code System Code Type Description
PUBCHEM
91827148
Created by admin on Sat Dec 16 08:06:45 UTC 2023 , Edited by admin on Sat Dec 16 08:06:45 UTC 2023
PRIMARY
CAS
150669-61-7
Created by admin on Sat Dec 16 08:06:45 UTC 2023 , Edited by admin on Sat Dec 16 08:06:45 UTC 2023
PRIMARY
FDA UNII
QD67606M0E
Created by admin on Sat Dec 16 08:06:45 UTC 2023 , Edited by admin on Sat Dec 16 08:06:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Oriental tobacco is a sun-cured, highly aromatic, small-leafed variety (Nicotiana tabacum) that is grown in Turkey, Greece, Bulgaria, Lebanon, and the Republic of Macedonia. https://en.wikipedia.org/wiki/Types_of_tobacco