ChemicalBook--->CAS DataBase List--->17086-76-9

17086-76-9

17086-76-9 Structure

17086-76-9 Structure
IdentificationBack Directory
[Name]

Cyasterone
[CAS]

17086-76-9
[Synonyms]

cyasteron
CYASTERONE
(22r,24s,25s,28r)-gamma-lacton
Cyasterone, 98%, from Cyathula officinalis K.C. Kuan
2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-5-beta-stigmast-7-en-26-oicaci
(22R,24S,25S,28R)-2β,3β,14,20,22,28-Hexahydroxy-6-oxo(26-13C)-5β-stigmasta-7-ene-26-oic acid γ-lactone
7,(5BETA)-CHOLESTEN-26-CARBOXYLIC ACID-24BETA-(1-HYDROXYETHYL)-2BETA, 3BETA, 14ALPHA,20BETA, 22R-PENTOL-6-ONE GAMMA-LACTONE
(3S,4S,5R)-4-[(2R,3R)-2,3-Dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
[Molecular Formula]

C29H44O8
[MDL Number]

MFCD00468110
[MOL File]

17086-76-9.mol
[Molecular Weight]

520.65
Chemical PropertiesBack Directory
[Melting point ]

164~166℃
[Boiling point ]

735.2±60.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

14.12±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

NEFYSBQJYCICOG-YSEUJXISSA-N
[SMILES]

O=C1[C@]2([H])C[C@@H](O)[C@@H](O)C[C@]2(C)[C@](CC[C@@]3(C)[C@@]4(O)CC[C@]3([H])[C@](O)(C)[C@H](O)C[C@H]5[C@H](C)C(O[C@@H]5C)=O)([H])C4=C1
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

WGK 3
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White crystals, soluble in methanol, ethanol, and DMSO, derived from the dried roots of Cyathula officinalis Kuan.
[Uses]

Cyasterone is a phytoecdysteroid that has been shown to prevent the hepatotoxic action of CCl4 when administered to rats with hepatitis.
[Definition]

ChEBI: Cyasterone is a steroid lactone, a 21-hydroxy steroid, a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid.
[in vivo]

Cyasterone (intraperitoneal injection; 5 mg/kg, 10 mg/kg and 15 mg/kg; 21 days) has anti-proliferation effect in vivo and inhibits MGC823 cells xenografted tumor growth in vivo with few changes in body weights[2].

Animal Model:MGC823 xenograft tumor in BALB/C-nu mice[1]
Dosage:5 mg/kg, 10 mg/kg and 15 mg/kg
Administration:Intraperitoneal injection
Result:Inhibited MGC823 xenograft tumor growth in vivo.
Spectrum DetailBack Directory
[Spectrum Detail]

Cyasterone(17086-76-9)1HNMR
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