COLUPULONE

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NCATS

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

Structure Search

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 `Mon Mar 31 19:23:33 GMT 2025` Edited by `admin` on `Mon Mar 31 19:23:33 GMT 2025`
Record UNII	BA8R555DNZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COLUPULONE

Common Name

English

I-BUTYROLUPUPHENONE

Preferred 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 Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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CHEBI

134349

Created by admin on Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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PUBCHEM

373677

Created by admin on Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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EPA CompTox

DTXSID80963664

Created by admin on Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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GRAS Notification (GRN No.)

63

Created by admin on Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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CAS

468-27-9

Created by admin on Mon Mar 31 19:23:33 GMT 2025 , Edited by admin on Mon Mar 31 19:23:33 GMT 2025

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