MEGASTIGMATRIENOL

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0
Stereo Comments	Assumed racemic; MM2 minimum energy of (4E,E), (4Z, E), (4E,Z), and (4Z,Z) are 15.6873, 18.7788, 20.2547 and 21.5235 kcal/mol respectively

SHOW SMILES / InChI

Structure of MEGASTIGMATRIENOL

Structure Search

SMILES

C\C=C\C=C1C(C)=CC(O)CC1(C)C

InChI

InChIKey=FRTDADKJHZYVPP-DVIJZSFDSA-N

InChI=1S/C13H20O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,11,14H,9H2,1-4H3/b6-5+,12-7+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2-CYCLOHEXEN-1-OL, 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYL-

Preferred Name

English

MEGASTIGMATRIENOL

Common Name

English

4-(2-BUTEN-1-YLIDENE)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL

Systematic Name

English

Code System Code Type Description

FDA UNII

HHE0OY1T91

Created by admin on Wed Apr 02 00:55:35 GMT 2025 , Edited by admin on Wed Apr 02 00:55:35 GMT 2025

PRIMARY

PUBCHEM

137552083

Created by admin on Wed Apr 02 00:55:35 GMT 2025 , Edited by admin on Wed Apr 02 00:55:35 GMT 2025

PRIMARY

CAS

13215-90-2

Created by admin on Wed Apr 02 00:55:35 GMT 2025 , Edited by admin on Wed Apr 02 00:55:35 GMT 2025

PRIMARY

SUBSTANCE RECORD


					HHE0OY1T91

MEGASTIGMATRIENOL