CAS 1444818-14-7|10-Deacetyl-7-Methyl Baccatin III

Introduction:Basic information about CAS 1444818-14-7|10-Deacetyl-7-Methyl Baccatin III, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name10-Deacetyl-7-Methyl Baccatin III
CAS Number1444818-14-7Molecular Weight558.617
Density1.4±0.1 g/cm3Boiling Point691.8±55.0 °C at 760 mmHg
Molecular FormulaC30H38O10Melting Point/
MSDS/Flash Point221.6±25.0 °C

Names

Name(2α,5β,7β,10β,13α)-4-Acetoxy-1,10,13-trihydroxy-7-methoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point691.8±55.0 °C at 760 mmHg
Molecular FormulaC30H38O10
Molecular Weight558.617
Flash Point221.6±25.0 °C
Exact Mass558.246521
LogP4.15
Vapour Pressure0.0±2.3 mmHg at 25°C
Index of Refraction1.603
InChIKeyIWJSBKNWKLQICP-ARYQKKAUSA-N
SMILESCOC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(O)C(C)=C(C(O)C(=O)C12C)C3(C)C

Synonyms

(2α,5β,7β,10β,13α)-4-Acetoxy-1,10,13-trihydroxy-7-methoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4-methoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
10-Deacetyl-7-methyl Baccatin III
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