Iso-ustilaginoidin A structure

Iso-ustilaginoidin A

4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one

Also Known As: Ustilaginoidin A|Iso-ustilaginoidin A|Isoustilaginoidin A|didehydrocephalochromin|USTILAGINOIDINE A|9,9'-bisnorrubrofusarin|(+)-Isoustilaginoidin A|Epitope ID:2151084|(-)-USTILAGINOIDIN A|EX-A9254|4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one|[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-|5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione|5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dione|(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 5,5',6,6',8,8'-HEXAHYDROXY-2,2'-DIMETHYL-|(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 5,5',6,6',8,8'-HEXAHYDROXY-2,2'-DIMETHYL-, (9R)-|(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 5,5',6,6',8,8'-HEXAHYDROXY-2,2'-DIMETHYL-, (R)-|(9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5',6,6,8,8'-hexahydroxy-2,2'-dimethyl-, (R)-|(aR)-5,5 ,6,6 ,8,8 -Hexahydroxy-2,2 -dimethyl-9,9 -bi[4H-naphtho[2,3-b]pyran]-4,4 -dione|(aR)-5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-9,9'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione|(R)-5,5',6,6,8,8'-Hexahydroxy-2,2'-dimethyl-(9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione|[aS,(+)]-5,5 ,6,6 ,8,8 -Hexahydroxy-2,2 -dimethyl-9,9 -bi[4H-naphtho[2,3-b]pyran]-4,4 -dione|2,2 -Dimethyl-5,5 ,6,6 ,8,8 -hexahydroxy-9,9 -bi[4H-naphtho[2,3-b]pyran-4-one]|2-methyl-5,6,8-trihydroxy-9-(5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3,b]pyran-4-one-9yl)-4H-naphtho[2,3,b]pyran-4-one|5,5 ,6,6 ,8,8 -Hexahydroxy-2,2 -dimethyl-9,9 -bi[4H-naphtho[2,3-b]pyran]-4,4 -dione|5,5 ,6,6 ,8,8 -Hexahydroxy-2,2 -dimethyl[9,9 -bi-4H-naphtho[2,3-b]pyran]-4,4 -dione|5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-benzo[g]chromen-9-yl)benzo[g]chromen-4-one|5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxobenzo[g]chromen-9-yl)benzo[g]chromen-4-one

CAS: 3692-07-7
Molecular Formula C28H18O10
Molecular Weight 514.09 g/mol
LogP 0.5
Topological Polar Surface Area 174.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
Rotatable Bonds 1
Exact Mass 514.09
Monoisotopic Mass 514.09
Heavy Atoms 38
Complexity 1600.0

Chemical Identifiers

CAS Number 3692-07-7
SMILES CC1=CC(=C2C(=CC3=C(C(=O)C=C(C3=C2O)O)C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O1)O
InChIKey JBUCAUPBQQHNRS-UHFFFAOYSA-N

Product Overview

Iso-ustilaginoidin A (CAS 3692-07-7), with molecular formula C28H18O10 and molecular weight 514.09 g/mol. IUPAC: 4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one.

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