(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol

Catalog No: FT-0774276

CAS No: 1249-81-6

Chemical Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
Molecular Formula: C27H46S
Molecular Weight: 402.7
InChI Key: QGVQZRDQPDLHHV-DPAQBDIFSA-N
InChI: InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/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

Bolling_Point:	482.4ºC at 760mmHg
CAS:	1249-81-6
MF:	C27H46S
Density:	0.98g/cm3
Melting_Point:	97-99ºC(lit.)
Product_Name:	Cholest-5-ene-3.β.-thiol
Flash_Point:	224ºC
FW:	402.71900

MF:	C27H46S
Density:	0.98g/cm3
Computational_Chemistry:	['1 . XlogP 95 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 0 ', '7 . Heavy Atom Count 28 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 591 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 8 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）97-99 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）Unknow ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility Unknow']
Exact_Mass:	402.33200
Vapor_Pressure:	5.38E-09mmHg at 25°C
Flash_Point:	224ºC
PSA:	38.80000
Molecular_Structure:	['1. Molar refractive index 12629 ', '2. Molar volume 4082 ', '3. Parachor （902K）10089 ', '4. Surface tension 373 ', '5. Dielectric constant N/A ', '6. Polarizability 5006 ', '7. Single isotope mass 402332021 Da ', '8. Nominal mass 402 Da ', '9. Average mass 4027191 Da']
LogP:	8.32620
Bolling_Point:	482.4ºC at 760mmHg
FW:	402.71900
Refractive_Index:	1.53
Melting_Point:	97-99ºC(lit.)