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Cholesterol Benzoate

Catalog Number
ACM604320-1
Product Name
Cholesterol Benzoate
Structure
CAS
604-32-0
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight
490.77
Molecular Formula
C34H50O2
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
InChI
InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key
UVZUFUGNHDDLRQ-LLHZKFLPSA-N
Melting Point
150 °C
Purity
>96.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
806
Covalently-Bonded Unit Count
1
EC Number
210-064-3
Exact Mass
490.381081g/mol
Formal Charge
0
Heavy Atom Count
36
MDL Number
MFCD00003635
MeSH Entry Terms
cholesteryl benzoate;cholesteryl benzoate, (3alpha)-isomer
Monoisotopic Mass
490.381081g/mol
Rotatable Bond Count
8
UNII
N09H13SHLB
XLogP3
10.8
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