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| CAS No.: | 17605-67-3 |
|---|---|
| Name: | FUCOSTEROL |
| Molecular Structure: | |
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| Formula: | C29H48O |
| Molecular Weight: | 412.7 |
| Synonyms: | Fucosterol(6CI);Stigmasta-5,24(28)-dien-3b-ol, (E)- (8CI);(28E)-24-Ethylcholesta-5,24(28)-dien-3-ol;(E)-Stigmasta-5,24-(28)-dien-3b-ol;24-Ethylcholesta-5,24(28)E-dien-3b-ol;24E-Ethylidenecholest-5-en-3b-ol;Fucosterin;Stigmasta-5,trans-24(28)-dien-3b-ol;trans-24-Ethylidenecholesterol;trans-Stigmasta-5,24(28)-dien-3b-ol; |
| Density: | 0.98 g/cm3 |
| Melting Point: | 118-120°C |
| Boiling Point: | 504.2 °C at 760 mmHg |
| Flash Point: | 220.3 °C |
| Solubility: | Soluble in most organic solvents |
| Appearance: | white powder |
| PSA: | 20.23000 |
| LogP: | 7.94490 |
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Specification
The Fucosterol, with cas registry number 17605-67-3, has the systematic name of (3beta,24E)-stigmasta-5,24(28)-dien-3-ol. And it is also called 24-Isoethylidenecholest-5-en-3beta-ol, delta(5)-avenasterol. This chemical should store at the temperature of 2-8°C.
Physical properties about this chemical are: (1)ACD/LogP: 10.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.42; (4)ACD/LogD (pH 7.4): 10.42; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 128.91 cm3; (15)Molar Volume: 416.8 cm3; (16)Polarizability: 51.1×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Enthalpy of Vaporization: 89.08 kJ/mol; (19)Vapour Pressure: 2.8E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCC(=C/C)\C(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
(3)InChIKey: OSELKOCHBMDKEJ-JUGJNGJRBM
(4)Std. InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
(5)Std. InChIKey: OSELKOCHBMDKEJ-JUGJNGJRSA-N