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151561-88-5 | Kauran-17-oic acid, 3-oxo-
CAS No: 151561-88-5 Catalog No: AG001NEM MDL No:MFCD20260557
Product Description
Catalog Number:
AG001NEM
Chemical Name:
Kauran-17-oic acid, 3-oxo-
CAS Number:
151561-88-5
MDL Number:
MFCD20260557
IUPAC Name:
(1S,4S,9S,10R,13R,14S)-5,5,9-trimethyl-6-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
InChI:
InChI=1S/C20H30O3/c1-18(2)14-6-9-20-10-12(13(11-20)17(22)23)4-5-15(20)19(14,3)8-7-16(18)21/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14-,15+,19-,20+/m1/s1
InChI Key:
DFXNQVOKZMHGJK-OAAASAAISA-N
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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