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604-32-0 | 3b-(Benzoyloxy);cholest-5-ene
CAS No: 604-32-0 Catalog No: AG003OV9 MDL No:MFCD00003635
Product Description
Catalog Number:
AG003OV9
Chemical Name:
3b-(Benzoyloxy);cholest-5-ene
CAS Number:
604-32-0
Molecular Formula:
C34H50O2
Molecular Weight:
490.7596
MDL Number:
MFCD00003635
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
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
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccccc1)C)C
EC Number:
210-064-3
UNII:
N09H13SHLB
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
490.381g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.772g/mol
Monoisotopic Mass:
490.381g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
Literature
| Title | Journal |
|---|---|
| Thermo-induced vesicular dynamics of membranes containing cholesterol derivatives. | Lipids 20120801 |
| Structure and dynamics of reentrant nematics: any open questions after almost 40 years? | International journal of molecular sciences 20110101 |
| Influence of supercritical CO(2) pressurization on the phase behavior of mixed cholesteryl esters. | International journal of pharmaceutics 20100915 |
| Percolation phenomenon in mixed reverse micelles: the effect of additives. | Journal of colloid and interface science 20060301 |
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