ChemicalBook--->CAS DataBase List--->38395-02-7

38395-02-7

38395-02-7 Structure

38395-02-7 Structure
IdentificationBack Directory
[Name]

caudatin
[CAS]

38395-02-7
[Synonyms]

caudatin
Caudatin ,98%
Pregn-5-en-20-one,12-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxy-, (3b,12b,14b,17a)-
Pregn-5-en-20-one, 12-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxy-, (3β,12β,14β,17α)-
(3beta,12beta,14beta,17alpha)-12-[[(2E)-3,4-Dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxypregn-5-en-20-one
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
[Molecular Formula]

C28H42O7
[MDL Number]

MFCD09752778
[MOL File]

38395-02-7.mol
[Molecular Weight]

490.633
Chemical PropertiesBack Directory
[Boiling point ]

617.9±55.0 °C(Predicted)
[density ]

1.25
[storage temp. ]

4°C, protect from light
[solubility ]

DMF:30.0(Max Conc. mg/mL);61.15(Max Conc. mM)
DMSO:30.0(Max Conc. mg/mL);61.15(Max Conc. mM)
Ethanol:30.0(Max Conc. mg/mL);61.15(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:7):0.12(Max Conc. mg/mL);0.24(Max Conc. mM)
[form ]

A solid
[pka]

11.93±0.70(Predicted)
[color ]

White to off-white
[Major Application]

food and beverages
[InChIKey]

VWLXIXALPNYWFH-NLCMXFOFNA-N
[SMILES]

[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O |&1:0,2,13,15,19,25,27,31,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents.
[Uses]

Gaodatin has inhibitory effect on the growth of various human-derived tumor cell lines such as human gastric cancer, colon cancer, and lung cancer.
[Biological Activity]

Caudatin, a C-21 steroid hormone derived from Cynanchum auriculatum (C. auriculatum), potently inhibits human glioma growth in vitro and in vivo by triggering cell cycle arrest and apoptosis.
Spectrum DetailBack Directory
[Spectrum Detail]

caudatin(38395-02-7)1HNMR
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