CAS 19833-82-0 | 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-tridecyl- | CAS Number 19833-82-0

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19833-82-0 | 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-tridecyl-

CAS No: 19833-82-0 Catalog No: AG002BFH MDL No:MFCD07782229

Product Description

Catalog Number:

AG002BFH

Chemical Name:

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-tridecyl-

CAS Number:

19833-82-0

Molecular Formula:

C20H32O4

Molecular Weight:

336.4657

MDL Number:

MFCD07782229

IUPAC Name:

2-hydroxy-5-methoxy-3-tridecylcyclohexa-2,5-diene-1,4-dione

InChI:

InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(24-2)20(16)23/h15,22H,3-14H2,1-2H3

InChI Key:

FRAFMLCDGYVHNZ-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC

Properties

Complexity:

474

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.23g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.472g/mol

Monoisotopic Mass:

336.23g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Chromatographic separation and in vitro activity of sorgoleone congeners from the roots of sorghum bicolor.	Journal of agricultural and food chemistry 20031217
Inhibitory effects of sudanese medicinal plant extracts on hepatitis C virus (HCV) protease.	Phytotherapy research : PTR 20001101