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17105-75-8

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Basic Information
CAS No.: 17105-75-8
Name: Ergost-7-en-3-ol, (3b,24x)-
Article Data: 4
Molecular Structure:
Molecular Structure of 17105-75-8 (Ergost-7-en-3-ol, (3b,24x)-)
Formula: C28H48O
Molecular Weight: 400.689
Synonyms: 24x-Ergost-7-en-3b-ol (8CI);24-Methylcholest-7-en-3b-ol;24-Methylcholest-7-enol;24x-D7-Ergosten-3b-ol;
Density: 0.98g/cm3
Boiling Point: 488.3 °C at 760 mmHg
Flash Point: 214 °C
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Specification

The Ergost-7-en-3-ol, (3b,24x)-, with CAS registry number 17105-75-8, has the systematic name of ergost-7-en-3-ol. Besides this, it is also called 24-Methylcholest-7-en-3β-ol. Its molecular weight is 400.6801. And the chemical formula of this chemical is C28H48O.

Physical properties of Ergost-7-en-3-ol, (3b,24x)-: (1)ACD/LogP: 10.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.11; (4)ACD/LogD (pH 7.4): 10.11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7542019.5; (8)ACD/KOC (pH 7.4): 7542019.5; (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: 1.522; (14)Molar Refractivity: 124.58 cm3; (15)Molar Volume: 408.1 cm3; (16)Polarizability: 49.38×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 214 °C; (20)Enthalpy of Vaporization: 86.92 kJ/mol; (21)Boiling Point: 488.3 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC4CC1C(C2\C(=C/C1)C3CCC(C(C)CCC(C)C(C)C)C3(CC2)C)(CC4)C
(2)InChI: InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3
(3)InChIKey: PUGBZUWUTZUUCP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3
(5)Std. InChIKey: PUGBZUWUTZUUCP-UHFFFAOYSA-N