Butanoic acid, 2,2-dimethyl-,8-[2-[4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester,[1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-


Chemical Name: Butanoic acid, 2,2-dimethyl-,8-[2-[4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester,[1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-
CAS Number: 145576-25-6
Product Number: AG001D6T(AGN-PC-0PXBT3)
Synonyms:
MDL No:
Molecular Formula: C27H40O6
Molecular Weight: 460.6029

Identification/Properties


Computed Properties
Molecular Weight:
460.611g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
460.282g/mol
Monoisotopic Mass:
460.282g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
809
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
7
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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