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Cholesteryl Acetate

CAS No.:
604-35-3
Catalog Number:
AG0035W4
Molecular Formula:
C29H48O2
Molecular Weight:
428.6902
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Product Description
Catalog Number:
AG0035W4
Chemical Name:
Cholesteryl Acetate
CAS Number:
604-35-3
Molecular Formula:
C29H48O2
Molecular Weight:
428.6902
MDL Number:
MFCD00003636
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] acetate
InChI:
InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key:
XUGISPSHIFXEHZ-VEVYEIKRSA-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)C)C)C
EC Number:
210-066-4
UNII:
OTA9A3781T
Properties
Complexity:
693  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
428.365g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.701g/mol
Monoisotopic Mass:
428.365g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1  
Literature
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