OVALENE

C1=CC2=CC=C3C=C4C=CC5=C6C7=C(C=CC8=CC9=CC=C1C%10=C9C(=C78)C(C3=C2%10)=C46)C=C5

InChIKey=LSQODMMMSXHVCN-UHFFFAOYSA-N

InChI=1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

PubMed

Title	Date	PubMed
Theoretical investigations into the blue-shifting hydrogen bond in benzene complexes.	2006 Mar 13	16514693
The C-H stretch intensities of polycyclic aromatic hydrocarbon cations. Origins and astrophysical implications.	2009 Apr 16	19320445
Combined xanthorrhizol-curcumin exhibits synergistic growth inhibitory activity via apoptosis induction in human breast cancer cells MDA-MB-231.	2009 Jan 2	19118501
Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion correction.	2010 Jun 28	20383394
Molecular dynamics simulations of anharmonic infrared spectra of [SiPAH](+) pi-complexes.	2010 May 13	20394399

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:31:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:31:29 GMT 2023`
Record UNII	3M1901484G
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

OVALENE

Systematic Name

English

NSC-91578

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

205-880-1