N-Methylschumannificine structure

N-Methylschumannificine

7,11-dihydroxy-6,15-dimethyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione

Also Known As: N-Methylschumannificine|4H,9H-Pyrano(2',3':5,6)(1)benzopyrano(3,4-c0pyridine-4,9-dione, 8,8a,10,11,12,12a-hexahydro-5,8-dihydroxy-2,10-dimethyl-|5,7-Dihydroxy-2,8-dimethyl-6a,7,8,9,10,10a-hexahydro-4H,6H-pyrano[3',2':6,7][1]benzopyrano[3,2-c]pyridine-4,6-dione|5,7-dihydroxy-2,8-dimethyl-6a,7,8,9,10,10a-hexahydro-4H,6H-pyrano[3',2':6,7]chromeno[3,2-c]pyridine-4,6-dione|7,11-Dihydroxy-6,15-dimethyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione

CAS: 88720-92-7
Molecular Formula C17H17NO6
Molecular Weight 331.1056 g/mol
LogP 1.3
Topological Polar Surface Area 96.3 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 0
Exact Mass 331.1056
Monoisotopic Mass 331.1056
Heavy Atoms 24
Complexity 604.0

Chemical Identifiers

CAS Number 88720-92-7
SMILES CC1=CC(=O)C2=C(C3=C(C=C2O1)OC4CCN(C(C4C3=O)O)C)O
InChIKey VAAJKLYKCBUSIZ-UHFFFAOYSA-N

Product Overview

N-Methylschumannificine (CAS 88720-92-7), with molecular formula C17H17NO6 and molecular weight 331.1056 g/mol. IUPAC: 7,11-dihydroxy-6,15-dimethyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione.

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