Chemical Name: HECOGENIN ACETATE
Molecular Formula: C29H44O5
Molecular Weight: 472.7
InChI Key: CVKZWRTYHCDWTE-RSEFXUKDSA-N
InChI: InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/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:	Hecogenin Acetate
Flash_Point:	264.7ºC
Melting_Point:	246-248ºC (dec.)(lit.)
FW:	472.65700
Density:	1.15g/cm3
CAS:	915-35-5
Bolling_Point:	557.5ºC at 760mmHg
MF:	C29H44O5

Molecular_Structure:	['1 . Molar refractive index 12935 ', '2 . Molar volume （m3/mol）4088 ', '3 . Parachor （902K）10567 ', '4 . Surface tension 446 ', '5 . Polarizability （10 -24cm 3）5128']
LogP:	5.54360
Flash_Point:	264.7ºC
FW:	472.65700
Density:	1.15g/cm3
Bolling_Point:	557.5ºC at 760mmHg
Computational_Chemistry:	['1 . XlogP 54 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 618 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 871 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 12 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Melting_Point:	246-248ºC (dec.)(lit.)
PSA:	61.83000
MF:	C29H44O5
More_Info:	['1 . Appearance White 结晶。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）245-252°C ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index-4 ° (C=1, Dioxane) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）[α]D20 －5°～－7°（C=1，氯仿中）。 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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']
Exact_Mass:	472.31900