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570-74-1

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Basic Information
CAS No.: 570-74-1
Name: 5-CHOLESTENE
Article Data: 112
Molecular Structure:
Molecular Structure of 570-74-1 (5-CHOLESTENE)
Formula: C27H46
Molecular Weight: 370.662
Synonyms: NSC 118131;D5-Cholestene;
EINECS: 209-332-2
Density: 0.94 g/cm3
Melting Point: 92.85°C
Boiling Point: 447.9 °C at 760 mmHg
Flash Point: 220.9 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 22-26-36
PSA: 0.00000
LogP: 8.41790
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Specification

The Cholest-5-ene is an organic compound with the formula C27H46. The IUPAC name of this chemical is 10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene. With the CAS registry number 570-74-1, it is also named as 5-Cholestene. Besides, its molecular weight is 370.65.

Physical properties about Cholest-5-ene are: (1)ACD/LogP: 11.81; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 5; (4)Index of Refraction: 1.513; (5)Molar Refractivity: 118.46 cm3; (6)Molar Volume: 393.5 cm3; (7)Polarizability: 46.96×10-24 cm3; (8)Surface Tension: 35.1 dyne/cm; (9)Density: 0.94 g/cm3; (10)Flash Point: 220.9 °C; (11)Enthalpy of Vaporization: 67.91 kJ/mol; (12)Boiling Point: 447.9 °C at 760 mmHg; (13)Vapour Pressure: 8.59E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C\43=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CCCC/4
(2)InChI: InChI=1/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: DTGDZMYNKLTSKC-HKQCOZBKBI
(4)Std. InChI: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: DTGDZMYNKLTSKC-HKQCOZBKSA-N