(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Catalog No: FT-0773236

CAS No: 508-77-0

Chemical Name: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Formula: C30H44O9
Molecular Weight: 548.7
InChI Key: XQCGNURMLWFQJR-ZNDDOCHDSA-N
InChI: InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/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:	GHS06, GHS08
CAS:	508-77-0
Flash_Point:	232.7ºC
Product_Name:	cymarin
Bolling_Point:	722.1ºCat 760 mmHg
FW:	548.66500
Melting_Point:	148ºC
MF:	C30H44O9
Density:	1.31 g/cm3

FW:	548.66500
Refractive_Index:	1.589
Flash_Point:	232.7ºC
LogP:	2.43330
Bolling_Point:	722.1ºCat 760 mmHg
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/ cm3,25/4℃）Unknow ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）148 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,8kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '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']
Computational_Chemistry:	['1 . XlogP 0。8 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 132 ', '7 . Heavy Atom Count 39 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1030 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 12 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Melting_Point:	148ºC
MF:	C30H44O9
Exact_Mass:	548.29900
Molecular_Structure:	['1 . Molar refractive index 14027 ', '2 . Molar volume （m3/mol）4157 ', '3 . Parachor （902K）11541 ', '4 . Surface tension 594 ', '5 . Polarizability （10 -24cm 3）5561']
Density:	1.31 g/cm3
PSA:	131.75000

Symbol:	GHS06, GHS08
Hazard_Class:	6.1(b)
Risk_Statements(EU):	R23/25
Packing_Group:	III
Personal_Protective_Equipment:	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
RTECS:	GZ5600000
RIDADR:	UN 3462 6.1/PG 2
Hazard_Codes:	T: Toxic;
Warning_Statement:	P261-P301 + P310-P311
Safety_Statements:	H301 + H331-H373