| Identification | |||||||||||||
| Name: | b-D-Glucopyranoside, (3b)-stigmast-5-en-3-yl | ||||||||||||
| Synonyms: | Daucosterin(6CI);Stigmast-5-ene, 3b-(b-D-glucopyranosyloxy)- (8CI);(-)-b-Sitosterolglucoside;(-)-b-Sitosterolb-D-glucopyranoside;1513DMIa;3-(b-D-Glucopyranosyloxy)stigmast-5-ene;3-O-b-D-Glucopyranosyl-b-sitosterol;3-O-b-D-Glucopyranosylsitosterol;3-O-b-D-Glucosyl-b-sitosterol;3b-D-Glucosyl-b-sitosterol;AW 10;Alexandrin;BSSG;Coriandrinol;Daucosterol;Doursterol;EU 4906;Eleutheroside A;NSC165962;Sitogluside;Sitosterol 3-O-b-D-glucopyranoside;Sitosterol D-glucoside;Sitosterolglucoside;Sitosterol-3-O-b-glucoside;Sitosteryl 3b-glucoside;Sitosteryl b-D-glucopyranoside;Sterolin;Stigmast-5-en-3-b-glucopyranoside;Stigmast-5-en-3b-yl b-D-glucopyranoside;Stigmast-5-ene, 3-(b-D-glucopyranosyloxy)-, (3b)-;WA 184;b-Daucosterin;b-Daucosterol;b-Sitosterol 3-O-D-glucoside;b-Sitosterol 3-O-glucoside;b-Sitosterol 3-O-b-D-glucopyranoside;b-Sitosterol 3-O-b-D-glucoside;b-Sitosterol 3-b-D-glucopyranoside;b-Sitosterol D-glucopyranoside;b-Sitosterol D-glucoside;b-Sitosterol O-glucoside;b-Sitosterol O-b-D-glucoside;b-Sitosterol glucopyranoside;b-Sitosterol glucoside;b-Sitosterol monoglucoside;b-Sitosterol b-D-glucopyranoside;b-Sitosterol b-D-glucoside;b-Sitosterol b-D-glycopyranoside;b-Sitosterol b-glucopyranoside;b-Sitosterol b-glucoside;b-Sitosterol-3-glucoside;b-Sitosteryl 3-O-b-D-glucopyranoside;b-Sitosteryl 3-O-b-D-glucoside;b-Sitosteryl 3-glucoside;b-Sitosteryl 3-b-D-glucoside;b-Sitosteryl glucoside;b-Sitosteryl b-D-glucopyranoside;b-Sitosteryl b-D-glucoside; | ||||||||||||
| CAS: | 474-58-8 | ||||||||||||
| Molecular Formula: | C35H60O6 | ||||||||||||
| Molecular Weight: | 576.85 | ||||||||||||
| InChI: | InChI=1/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 | ||||||||||||
| Molecular Structure: |  |
||||||||||||
| Properties | |||||||||||||
| Density: | 1.13 g/cm3 | ||||||||||||
| Refractive index: | 1.553 | ||||||||||||
| Appearance: | Off White powder | ||||||||||||
| Specification: |
The Daucosterol, with the CAS registry number 474-58-8, is also known as (3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C35H60O6 and molecular weight is 576.85. Its IUPAC name is called (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol. This chemical's classification codes are Antiprostatic hypertrophy; Drug/Therapeutic Agent; Natural Product. It is off white powder. Physical properties about this chemical are: (1)ACD/LogP: 8.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.78; (4)ACD/LogD (pH 7.4): 8.78; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1422073.88; (8)ACD/KOC (pH 7.4): 1422064.5; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 162.93 cm3; (14)Molar Volume: 508.7 cm3; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.13 g/cm3; (17)Flash Point: 361.2 °C; (18)Enthalpy of Vaporization: 113.2 kJ/mol; (19)Boiling Point: 673.6 °C at 760 mmHg; (20)Vapour Pressure: 4.95E-21 mmHg at 25°C. You can still convert the following datas into molecular structure: The toxicity data is as follows:
| ||||||||||||
| Safety Data | |||||||||||||
 |
|||||||||||||
