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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BREVICOMIN

SMILES

CC[C@H]1O[C@]2(C)CCC[C@H]1O2

InChI

InChIKey=YONXEBYXWVCXIV-HLTSFMKQSA-N
InChI=1S/C9H16O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h7-8H,3-6H2,1-2H3/t7-,8-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16O2
Molecular Weight 156.2221
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 Sat Dec 16 08:24:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:10 GMT 2023
Record UNII
KPU1SW45CD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BREVICOMIN
Common Name English
NSC-154758
Code English
J16.634K
Code English
EXO-BREVICOMIN
Common Name English
7-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
6,8-DIOXABICYCLO(3.2.1)OCTANE, 7-ETHYL-5-METHYL-, (1R,5S,7R)-
Systematic Name English
EXO-7-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
(+)-EXO-BREVICOMIN
Common Name English
(1R,5S,7R)-7-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
(1R)-EXO-7-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
(1.ALPHA.)-5.BETA.-METHYL-7.ALPHA.-ETHYL-6,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
6-ETHYL-1-METHYL-7,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
6,8-DIOXABICYCLO(3.2.1)OCTANE, 7-ETHYL-5-METHYL-, (1R-EXO)-
Systematic Name English
6,8-DIOXABICYCLO(3.2.1)OCTANE, 7-ETHYL-5-METHYL-
Systematic Name English
(1S,5R,6R)-1-METHYL-6-ETHYL-7,8-DIOXABICYCLO(3.2.1)OCTANE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 128927
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
Code System Code Type Description
FDA UNII
KPU1SW45CD
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY
ALANWOOD
brevicomin
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID2041678
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY
PUBCHEM
181255
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY
CAS
20290-99-7
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY
NSC
154758
Created by admin on Sat Dec 16 08:24:10 GMT 2023 , Edited by admin on Sat Dec 16 08:24:10 GMT 2023
PRIMARY