C77902
Cholesteryl hydrocinnamate
97%
Synonym(s):
3β-Hydroxy-5-cholestene 3-hydrocinnamate, 5-Cholesten-3β-ol 3-hydrocinnamate, Cholesteryl phenylpropionate
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About This Item
assay
97%
form
liquid crystal
optical activity
[α]27/D −24°, c = 2 in chloroform
mp
109.5-110.5 °C (lit.)
transition temp
isotropic phase to cholesteric phase 106 °C, cholesteric phase to isotropic phase 110 °C
SMILES string
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCc5ccccc5
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
InChI key
KPNKAGLPVPTLGB-ZOJFKXTHSA-N
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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