CHOLESTEROL HYDROCINNAMATE

CAS No.
14914-99-9
CCD No.
CCD00003530
Formula
C36 H54 O2
MolWeight
518.821

Basic Information

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

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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