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[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate

[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate structure

CAS No:
53023-17-9
Formula:
C21H24O7
Chemical Name:
[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
Synonyms:
3'-O-acetyl-4'-O-isovaleryl-cis-khellactone;saxdorphin;suksdorfin;Suksdorfin;53023-17-9;NSC666862;Saxdorphin;3'-O-Acetyl-4'-O-isovaleryl-cis-khellactone;Pyranocoumarin iBuCOO deriv.;MLS000574879;CHEMBL68956;SCHEMBL15532093;DTXSID60201071;HMS2194L09;ZINC3809580;AKOS030503531;NSC-666862;NCGC00247545-01;(9R-cis)-9-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl 3-methylbutanoate;[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate;SMR000156247;3'-O-Acetyl-4'-O-isopentanoyl-(+)-cis-khellactone;[(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate;Butanoic acid, 3-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-cis)-

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[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate Basic Attributes

Molecular Weight：

388.4 g/mol

Exact Mass：

388.15220310 g/mol

NSC Number：

666862

DSSTox ID：

DTXSID60201071

Characteristics

PSA：

88.1 Å²

Drug Information

MeSH Entry Terms：

3'-O-acetyl-4'-O-isovaleryl-cis-khellactone

Computed Properties

Molecular Weight:388.4
XLogP3:3.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:388.15220310
Monoisotopic Mass:388.15220310
Topological Polar Surface Area:88.1
Heavy Atom Count:28
Complexity:666
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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