CAS 905929-95-5|Scutebarbatine B

Introduction：Basic information about CAS 905929-95-5|Scutebarbatine B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameScutebarbatine B
CAS Number905929-95-5Molecular Weight557.63
Density1.3±0.1 g/cm3Boiling Point726.8±60.0 °C at 760 mmHg
Molecular FormulaC33H35NO7Melting Point/
MSDS/Flash Point393.4±32.9 °C

Names

NameScutebarbatine B
SynonymMore Synonyms

Scutebarbatine B BiologicalActivity

DescriptionScutebarbatine B shows significant cytotoxic activities against three human cancer lines, namely, HONE-1 nasopharyngeal, KB oral epidermoid carcinoma, and HT29 colorectal carcinoma cells, with IC50 values in the range 3.5-8.1 mM[1]<
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>Others
References

[1]. Dai SJ, Tao JY, Liu K, Jiang YT, Shen L. neo-Clerodane diterpenoids from Scutellaria barbata with cytotoxic activities. Phytochemistry. 2006;67(13):1326-1330.

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point726.8±60.0 °C at 760 mmHg
Molecular FormulaC33H35NO7
Molecular Weight557.63
Flash Point393.4±32.9 °C
Exact Mass557.241333
PSA112.02000
LogP5.32
Vapour Pressure0.0±2.5 mmHg at 25°C
Index of Refraction1.618
InChIKeyQSKVSBUCFQUTSW-IWSWVWQKSA-N
SMILESCC1=CCCC2C1(C)C(OC(=O)c1cccnc1)C(OC(=O)c1ccccc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1

Safety Information

Hazard CodesXi

Synonyms

(1R,2S,3R,4R,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate
(1R,2S,3R,4R,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate
3-Pyridinecarboxylic acid, (1R,2S,3R,4S,4aS,8aR)-2-(benzoyloxy)-4-[(E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester
3-Pyridinecarboxylic acid, (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-4-[(E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester
(1R,2S,3R,4S,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate
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