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125164-55-8 | Kaur-16-en-15-one, 11-(acetyloxy)-13,18-dihydroxy-, (4α,11β)-
CAS No: 125164-55-8 Catalog No: AG000N9V MDL No:MFCD17214869
Product Description
Catalog Number:
AG000N9V
Chemical Name:
Kaur-16-en-15-one, 11-(acetyloxy)-13,18-dihydroxy-, (4α,11β)-
CAS Number:
125164-55-8
MDL Number:
MFCD17214869
IUPAC Name:
[(1R,4S,5R,9R,10S,11S,13R)-13-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
InChI:
InChI=1S/C22H32O5/c1-13-18(25)21-9-6-16-19(3,12-23)7-5-8-20(16,4)17(21)15(27-14(2)24)10-22(13,26)11-21/h15-17,23,26H,1,5-12H2,2-4H3/t15-,16+,17-,19-,20+,21+,22-/m0/s1
InChI Key:
PYPRWTSCIQSVKE-WCYDGLNHSA-N
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
376.225g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.493g/mol
Monoisotopic Mass:
376.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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