MEGASTIGMATRIENONE A

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of MEGASTIGMATRIENONE A

Structure Search

SMILES

C\C=C\C=C1/C(C)=CC(=O)CC1(C)C

InChI

InChIKey=CBQXHTWJSZXYSK-DVIJZSFDSA-N

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

MEGASTIGMATRIENONE A

Common Name

English

2-CYCLOHEXEN-1-ONE, 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYL-, (Z,E)-

Preferred Name

English

2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTEN-1-YLIDENE-3,5,5-TRIMETHYL-, (4Z)-

Systematic Name

English

MEGASTIGMATRIENONE 1

Common Name

English

2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTENYLIDENE-3,5,5-TRIMETHYL-, (4Z)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501315386

Created by admin on Mon Mar 31 20:49:13 GMT 2025 , Edited by admin on Mon Mar 31 20:49:13 GMT 2025

PRIMARY

ECHA (EC/EINECS)

226-825-8

Created by admin on Mon Mar 31 20:49:13 GMT 2025 , Edited by admin on Mon Mar 31 20:49:13 GMT 2025

PRIMARY

PUBCHEM

6437599

Created by admin on Mon Mar 31 20:49:13 GMT 2025 , Edited by admin on Mon Mar 31 20:49:13 GMT 2025

PRIMARY

CAS

5492-79-5

Created by admin on Mon Mar 31 20:49:13 GMT 2025 , Edited by admin on Mon Mar 31 20:49:13 GMT 2025

PRIMARY

FDA UNII

3QY2F7PCN3

Created by admin on Mon Mar 31 20:49:13 GMT 2025 , Edited by admin on Mon Mar 31 20:49:13 GMT 2025

PRIMARY

SUBSTANCE RECORD


					3QY2F7PCN3

MEGASTIGMATRIENONE A