200,000+ products from a single source!
sales@angenechem.com
14914-99-9 | Cholest-5-en-3-ol (3β)-, 3-benzenepropanoate
CAS No: 14914-99-9 Catalog No: AG001LFK MDL No:MFCD00003640
Product Description
Catalog Number:
AG001LFK
Chemical Name:
Cholest-5-en-3-ol (3β)-, 3-benzenepropanoate
CAS Number:
14914-99-9
Molecular Formula:
C36H54O2
Molecular Weight:
518.8128
MDL Number:
MFCD00003640
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] 3-phenylpropanoate
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
InChI Key:
KPNKAGLPVPTLGB-ZOJFKXTHSA-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)CCC(C2)OC(=O)CCc1ccccc1)C)C
EC Number:
238-983-5
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
518.412g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.826g/mol
Monoisotopic Mass:
518.412g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.