Aurasperone B structure

Aurasperone B

7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one

Also Known As: Aurasperone B|Aurosperone B|7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one|2,2',5,5'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione|(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-2,2',5,5'-TETRAHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-|10-{2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-7-YL}-2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE|2,2 ,3,3 -Tetrahydro-2,2 ,5,5 -tetrahydroxy-6,6 ,8,8 -tetramethoxy-2,2 -dimethyl-7,10 -bi[4H-naphtho[2,3-b]pyran]-4,4 -dione|2,2',3,3'-TETRAHYDRO-2,2',5,5'-TETRAHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE|2,2',3,3'-TETRAHYDRO-2,2',5,5'-TETRAHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, (S)-|2,2',5,5'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-7,10'-bibenzo[g]chromene-4,4'-dione|7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo(g)chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo(g)chromen-4-one

CAS: 41689-67-2
Molecular Formula C32H30O12
Molecular Weight 606.1737 g/mol
LogP 4.6
Topological Polar Surface Area 170.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
Rotatable Bonds 5
Exact Mass 606.1737
Monoisotopic Mass 606.1737
Heavy Atoms 44
Complexity 1100.0

Chemical Identifiers

CAS Number 41689-67-2
SMILES CC1(CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O
InChIKey VIFQAHKDYKZMMS-UHFFFAOYSA-N

Product Overview

Aurasperone B (CAS 41689-67-2), with molecular formula C32H30O12 and molecular weight 606.1737 g/mol. IUPAC: 7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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