Chemical Name: Baccatine III
Molecular Formula: C31H38O11
Molecular Weight: 586.6
InChI Key: OVMSOCFBDVBLFW-VHLOTGQHSA-N
InChI: InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	Baccatin III
Flash_Point:	226.9±26.4 °C
Melting_Point:	229-234 °C
FW:	586.627
Density:	1.4±0.1 g/cm3
CAS:	27548-93-2
Bolling_Point:	713.6±60.0 °C at 760 mmHg
MF:	C31H38O11

Molecular_Structure:	['1 . Molar refractive index 14573 ', '2 . Molar volume （m3/mol）4231 ', '3 . Parachor （902K）11935 ', '4 . Surface tension 632 ', '5 . Polarizability （10 -24cm 3）5777']
Flash_Point:	226.9±26.4 °C
Refractive_Index:	1.605
FW:	586.627
Density:	1.4±0.1 g/cm3
Bolling_Point:	713.6±60.0 °C at 760 mmHg
Melting_Point:	229-234 °C
Computational_Chemistry:	['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 11 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 166 ', '7 重原子数42 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1200 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 9 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	4.06
Water_Solubility:	不溶
PSA:	165.89000
MF:	C31H38O11
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）229-234 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index15455-15475 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.0±2.4 mmHg at 25°C
Exact_Mass:	586.241394