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2058-59-5 | Hydroperoxide, (3β)-cholest-5-en-3-yl
CAS No: 2058-59-5 Catalog No: AG002ADL MDL No:
Product Description
Catalog Number:
AG002ADL
Chemical Name:
Hydroperoxide, (3β)-cholest-5-en-3-yl
CAS Number:
2058-59-5
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-3-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key:
JMMMHJWHJMBHOK-DPAQBDIFSA-N
SMILES:
OO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
402.35g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.663g/mol
Monoisotopic Mass:
402.35g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
Literature
| Title | Journal |
|---|---|
| Cholesteryl ester hydroperoxides are biologically active components of minimally oxidized low density lipoprotein. | The Journal of biological chemistry 20080418 |
| Detection of cholesteryl ester hydroperoxide isomers using gas chromatography-mass spectrometry combined with thin-layer chromatography blotting. | Analytical biochemistry 20070101 |
| Attenuation of lipid peroxidation and hyperlipidemia by quercetin glucoside in the aorta of high cholesterol-fed rabbit. | Free radical research 20050201 |
| Characterization of the oxidation products of BO-653 formed during peroxyl radical-mediated oxidation of human plasma. | Free radical biology & medicine 20050101 |
| Role of active oxygen species and antioxidants in photoaging. | Journal of dermatological science 20010801 |
| Inhibitory effect of flavonoids on low-density lipoprotein peroxidation catalyzed by mammalian 15-lipoxygenase. | IUBMB life 20000401 |
| Inhibition of mammalian 15-lipoxygenase-dependent lipid peroxidation in low-density lipoprotein by quercetin and quercetin monoglucosides. | Archives of biochemistry and biophysics 19980115 |
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