[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate

Catalog No: FT-0772915

CAS No: 1057-07-4

Chemical Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate
Molecular Formula: C26H34O3
Molecular Weight: 394.5
InChI Key: ZGDZDAPCWHIIKB-LVYWIKMTSA-N
InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/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:	[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate
MF:	C26H34O3
Bolling_Point:	505.6ºC at 760mmHg
Density:	1.14g/cm3
FW:	394.54600
Melting_Point:	N/A
Flash_Point:	216.7ºC
CAS:	1057-07-4

MF:	C26H34O3
Bolling_Point:	505.6ºC at 760mmHg
Exact_Mass:	394.25100
Refractive_Index:	1.569
PSA:	43.37000
Flash_Point:	216.7ºC
Density:	1.14g/cm3
Molecular_Structure:	['1 . Molar refractive index 11486 ', '2 . Molar volume 3443 ', '3 . Parachor (902K)9099 ', '4 表面张力(dyne/cm)487 ', '5 . Polarizability (10-24cm3)4553']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :665 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :7 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
FW:	394.54600
LogP:	5.82380
Vapor_Pressure:	2.4E-10mmHg at 25°C