(3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione


Chemical Name: (3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione
CAS Number: 32450-26-3
Product Number: AG00BXZ0(AGN-PC-0JNGQ1)
Synonyms:
MDL No:
Molecular Formula: C28H40O6
Molecular Weight: 472.6136

Identification/Properties


Computed Properties
Molecular Weight:
472.622g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
472.282g/mol
Monoisotopic Mass:
472.282g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
973
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


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