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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24O3
Molecular Weight 276.3707
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,11,11-trimethyl-8-methylidene-3-oxobicyclo[7.2.0]undec-4-en-2-yl acetate, (1R,2R,4E,9S)-

SMILES

CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CCC=C(C)C1=O

InChI

InChIKey=SXWKLEULMBLXJM-WAEUVNJBSA-N
InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8-/t13-,14+,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H24O3
Molecular Weight 276.3707
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 16:32:57 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:57 GMT 2023
Record UNII
CXG739JT3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,11,11-trimethyl-8-methylidene-3-oxobicyclo[7.2.0]undec-4-en-2-yl acetate, (1R,2R,4E,9S)-
Systematic Name English
Buddledin A
Common Name English
Bicyclo[7.2.0]undec-4-en-3-one, 2-(acetyloxy)-4,11,11-trimethyl-8-methylene-, [1R-(1R*,2R*,4E,9S*)]-
Systematic Name English
(1R,2R,4E,9S)-2-(Acetyloxy)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one
Systematic Name English
Bicyclo[7.2.0]undec-4-en-3-one, 2-(acetyloxy)-4,11,11-trimethyl-8-methylene-, (1R,2R,4E,9S)-
Systematic Name English
NSC-314033
Code English
Code System Code Type Description
CAS
62346-20-7
Created by admin on Sat Dec 16 16:32:57 GMT 2023 , Edited by admin on Sat Dec 16 16:32:57 GMT 2023
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PUBCHEM
5458683
Created by admin on Sat Dec 16 16:32:57 GMT 2023 , Edited by admin on Sat Dec 16 16:32:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID501125577
Created by admin on Sat Dec 16 16:32:57 GMT 2023 , Edited by admin on Sat Dec 16 16:32:57 GMT 2023
PRIMARY
FDA UNII
CXG739JT3N
Created by admin on Sat Dec 16 16:32:57 GMT 2023 , Edited by admin on Sat Dec 16 16:32:57 GMT 2023
PRIMARY
NSC
314033
Created by admin on Sat Dec 16 16:32:57 GMT 2023 , Edited by admin on Sat Dec 16 16:32:57 GMT 2023
PRIMARY