Name: DESMOSTEROL
SKU: 313-04-2

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Basic Information

Molecular Structure:
CAS No.:	313-04-2
Name:	DESMOSTEROL
Article Data:	21

Formula:	C₂₇H₄₄O
Molecular Weight:	384.646
Synonyms:	Cholesta-5,24-dien-3b-ol (8CI);24,25-Dehydrocholesterol;24-Dehydrocholesterol;Desmosterol;NSC 226126;
EINECS:	206-236-2
Density:	1 g/cm³
Melting Point:	121.5°, also reported as 119-119.5°
Boiling Point:	483.2 °C at 760 mmHg
Flash Point:	209.2 °C
Appearance:	WHITE POWDER
PSA:	20.23000
LogP:	7.30880

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Specification

The Cholesta-5,24-dien-3-ol,(3b)-, with CAS registry number 313-04-2, has the systematic name of (3β)-cholesta-5,24-dien-3-ol. Besides this, it is also called Desmosterol. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C₂₇H₄₄O. What's more, its EINECS is 206-236-2.

Physical properties of Cholesta-5,24-dien-3-ol,(3b)-: (1)ACD/LogP: 9.54; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 119.67 cm³; (9)Molar Volume: 383.9 cm³; (10)Polarizability: 47.44×10^-24cm³; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 1 g/cm³; (13)Flash Point: 209.2 °C; (14)Enthalpy of Vaporization: 86.22 kJ/mol; (15)Boiling Point: 483.2 °C at 760 mmHg; (16)Vapour Pressure: 2.31E-11 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)CC\C=C(/C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: AVSXSVCZWQODGV-DPAQBDIFBV
(4)Std. InChI: InChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-N