Roquefortine C; 3Z-Isomer, 5a,6-didehydro, N6-oxide
AlkaPlorer ID: AK312654
Synonym: Isoroquefortine L
IUPAC Name: None
Structure
SMILES: C=CC(C)(C)C12CC3C(=O)NC(=CC4=CNC=N4)C(=O)N3C1=[N+]([O-])C1=CC=CC=C12
InChI: InChI=1S/C22H21N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17H,1,10H2,2-3H3,(H,23,24)(H,25,28)
InChIKey: JKXUAFUJOVITSU-UHFFFAOYSA-N
Reference
CAS: 1985638-15-0
Source
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Properties Information
Molecule Weight: 403.4420000000002
TPSA？: 104.16
MolLogP？: 2.1854000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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