Basic Information |
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Product Name: | CHOLESTEROL HYDROCINNAMATE |
CAS: | 14914-99-9 |
English Synonyms: | CHOLESTERYL BETA-PHENYLPROPIONATE ; CHOLESTERYL PHENYLPROPIONATE ; 3BETA-HYDROXY-5-CHOLESTENE 3-HYDROCINNAMATE ; 5-CHOLESTEN-3BETA-OL PHENYLPROPIONATE ; CHOLESTEROL HYDROCINNAMATE ; CHOLESTEROL 3-PHENYLPROPIONATE ; 5-CHOLESTEN-3BETA-OL 3-HYDROCINNAMATE ; CHOLESTERYL HYDROCINNAMATE |
MDL Number.: | MFCD00003640 |
H bond acceptor: | 2 |
H bond donor: | 0 |
Smile: | CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCc5ccccc5)C)C |
InChi: | InChI=1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
InChiKey: | InChIKey=KPNKAGLPVPTLGB-ZOJFKXTHSA-N |
Property |
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Melting Point: | 109.5-110.5 DEG C(LIT) |
Physical Property: | TRANSITION TEMPERATURE: CHOLESTERIC PHASE TO ISOTROPIC PHASE 110 DEG C TRANSITION TEMPERATURE: ISOTROPIC PHASE TO CHOLESTERIC PHASE 106 DEG C |
Comments: | OPTICAL ACTIVITY: [ALPHA]27/D -24 DEG, C = 2 IN CHLOROFORM WGK: 3 |
Safety information |
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