17-Norkauran-18-oic acid, 13-methyl-16-oxo-, (4a,8b,13b)-


Chemical Name: 17-Norkauran-18-oic acid, 13-methyl-16-oxo-, (4a,8b,13b)-
CAS Number: 27975-19-5
Product Number: AG00BE5R(AGN-PC-0R3LO1)
Synonyms:
MDL No:
Molecular Formula: C20H30O3
Molecular Weight: 318.4504

Identification/Properties


Computed Properties
Molecular Weight:
318.457g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
318.219g/mol
Monoisotopic Mass:
318.219g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
583
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



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