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Details

Stereochemistry ACHIRAL
Molecular Formula C25H36O4
Molecular Weight 400.5509
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLUPULONE

SMILES

CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O

InChI

InChIKey=UNCDMWKTFLUPHZ-UHFFFAOYSA-N
InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C25H36O4
Molecular Weight 400.5509
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:52:37 GMT 2023
Edited
by admin
on Fri Dec 15 18:52:37 GMT 2023
Record UNII
BA8R555DNZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLUPULONE
Common Name English
I-BUTYROLUPUPHENONE
Common Name English
2,4-CYCLOHEXADIEN-1-ONE, 3,5-DIHYDROXY-4,6,6-TRIS(3-METHYL-2-BUTEN-1-YL)-2-(2-METHYL-1-OXOPROPYL)-
Systematic Name English
3,5-DIHYDROXY-4,6,6-TRIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
BA8R555DNZ
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY
CHEBI
134349
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY
PUBCHEM
373677
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID80963664
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
63
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY
CAS
468-27-9
Created by admin on Fri Dec 15 18:52:37 GMT 2023 , Edited by admin on Fri Dec 15 18:52:37 GMT 2023
PRIMARY