CAS 19254-69-4 | Ergosta-4,6,8(14),22-tetraen-3-one, (22E)- | CAS Number 19254-69-4

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19254-69-4 | Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-

CAS No: 19254-69-4 Catalog No: AG002G33 MDL No:MFCD17167010

Product Description

Catalog Number:

AG002G33

Chemical Name:

Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-

CAS Number:

19254-69-4

Molecular Formula:

C28H40O

Molecular Weight:

392.6166

MDL Number:

MFCD17167010

IUPAC Name:

(9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

InChI:

InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1

InChI Key:

OIMXTYUHMBQQJM-HSVWHVBGSA-N

SMILES:

CC([C@H](/C=C/[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C=C3)C)C)C

UNII:

RI51Y55U8P

Properties

Complexity:

806

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

392.308g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

392.627g/mol

Monoisotopic Mass:

392.308g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Role of RAS/Wnt/β-catenin axis activation in the pathogenesis of podocyte injury and tubulo-interstitial nephropathy.	Chemico-biological interactions 20170801
Effect of ergosta-4,6,8(14),22-tetraen-3-one (ergone) on adenine-induced chronic renal failure rat: a serum metabonomic study based on ultra performance liquid chromatography/high-sensitivity mass spectrometry coupled with MassLynx i-FIT algorithm.	Clinica chimica acta; international journal of clinical chemistry 20121009
Ultra performance liquid chromatography coupled with electrospray and atmospheric pressure chemical ionization (ESCi)-quadrupole time-of-flight mass spectrometry with novel mass spectrometry(Elevated Energy) (MS(E)) data collection technique: determination and pharmacokinetics, tissue distribution and biliary excretion study of ergone in rat.	Journal of separation science 20120701
Solvent effect on the absorption and fluorescence of ergone: determination of ground and excited state dipole moments.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201
Ergosta-4,6,8(14),22-tetraen-3-one isolated from Polyporus umbellatus prevents early renal injury in aristolochic acid-induced nephropathy rats.	The Journal of pharmacy and pharmacology 20111201
Ergosta-4,6,8(14),22-tetraen-3-one induces G2/M cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells.	Biochimica et biophysica acta 20110401
Quantitative HPLC method and pharmacokinetic studies of ergosta-4,6,8(14),22-tetraen-3-one, a natural product with diuretic activity from Polyporus umbellatus.	Biomedical chromatography : BMC 20101001
Rapid resolution liquid chromatography-mass spectrometry and high-performance liquid chromatography-fluorescence detection for metabolism and pharmacokinetic studies of ergosta-4,6,8(14),22-tetraen-3-one.	Analytica chimica acta 20100824
Pecipamide, a new sphingosine derivative from the cultures of Polyporus picipes (Basidiomycetes).	Lipids 20100501
A fast and sensitive HPLC-MS/MS analysis and preliminary pharmacokinetic characterization of ergone in rats.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100101
Bioactivity-directed isolation, identification of diuretic compounds from Polyporus umbellatus.	Journal of ethnopharmacology 20091029
Qualitative and quantitative analysis of the diuretic component ergone in Polyporus umbellatus by HPLC with fluorescence detection and HPLC-APCI-MS/MS.	Die Pharmazie 20090601
Endophytic fungi found in association with Smallanthus sonchifolius (Asteraceae) as resourceful producers of cytotoxic bioactive natural products.	Journal of basic microbiology 20090401
(22E)-Ergosta-6,22-diene-3beta,5alpha,8alpha-triol: a new polyhydroxysterol isolated from Lentinus edodes (Shiitake).	Natural product research 20090101
Ergosta-4,6,8(14),22-tetraen-3-one from Vietnamese Xylaria sp. possessing inhibitory activity of nitric oxide production.	Natural product research 20080101
[Studies on chemical constituents in the mycelia from fermented culture of Flammulina velutipes].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050201
An anti-aldosteronic diuretic component (drain dampness) in Polyporus sclerotium.	Biological & pharmaceutical bulletin 20040601
[Studies on the marker compounds for standardization of traditional Chinese medicine 'polyporus sclerotium ([symbol: see text])'].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20030201