Chemical Name: beta-Escin
Molecular Formula: C55H86O24
Molecular Weight: 1131.3
InChI Key: AXNVHPCVMSNXNP-YSYFQUGBSA-N
InChI: InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/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

Symbol:	Warning
FW:	30.06900
Density:	N/A
CAS:	11072-93-8
Bolling_Point:	N/A
Product_Name:	β-Escin
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C2H6

Molecular_Structure:	['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用']
LogP:	1.02620
Refractive_Index:	1.627
FW:	30.06900
Computational_Chemistry:	['1 . XlogP N/A可用 ', '2 . Hydrogen Bond Donor Count 26 ', '3 . Hydrogen Bond Acceptor Count 48 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 776 ', '6 . Heavy Atom Count 158 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 2300 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 51 ', '11 . Undefined Atom Stereocenter Count 3 ', '12 . Defined Bond Stereocenter Count 2 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
MF:	C2H6
More_Info:	['1 . Appearance White 粉末。 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index 无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Vapor_Pressure:	0mmHg at 25°C
Exact_Mass:	30.04700

Hazard_Codes:	Xn: Harmful;
RTECS:	KF6298500
Risk_Statements(EU):	R22
Safety_Statements:	22-24/25
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P280-P301 + P312 + P330