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2545-22-4

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Basic Information
CAS No.: 2545-22-4
Name: Cholesteryl linolenate
Article Data: 5
Molecular Structure:
Molecular Structure of 2545-22-4 (Cholesteryl linolenate)
Formula: C45H74O2
Molecular Weight: 647.081
Synonyms: Cholest-5-en-3-ol(3b)-,(9Z,12Z,15Z)-9,12,15-octadecatrienoate (9CI);Cholest-5-en-3-ol (3b)-, 9,12,15-octadecatrienoate,(Z,Z,Z)-;Cholesterol, linolenate (7CI,8CI);Linolenic acid, cholesteryl ester(6CI);Cholesterol a-linolenate;Cholesteryl linolenate;
EINECS: 219-824-9
Density: 0.97g/cm3
Boiling Point: 678.9°Cat760mmHg
Flash Point: 365°C
Appearance: White solid.
PSA: 26.30000
LogP: 13.52910
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Specification

The Cholesteryl linolenate, with cas registry number 2545-22-4, has system generated number of 0002545224. Its systematic name are Cholest-5-en-3-ol (3beta)-, (9Z,12Z,15Z)-9,12,15-octadecatrienoate;Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z,15Z)-9,12,15-octadecatrienoate);Cholest-5-en-3beta-yl (Z,Z,Z)-octadeca-9,12,15-trien-1-oate. Its storage temperature is −20°C.

You can still convert the following datas into molecular structure: 
(1)InChI: InChI=1/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1;
(2)SMILES: O=C(CCCCCCC\C=C/C\C=C/C\C=C/CC)O[C@H]1CC[C@@]2(C(=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@H]23)C)C1)C.