Erythrartine; 11-Ketone, O16-de-Me
AlkaPlorer ID: AK297816
Synonym: 11-Oxoerysodine
IUPAC Name: None
Structure
SMILES: COC1=CC2=C(C=C1O)C(=O)CN1CC=C3C=CC(OC)CC321
InChI: InChI=1S/C18H19NO4/c1-22-12-4-3-11-5-6-19-10-16(21)13-7-15(20)17(23-2)8-14(13)18(11,19)9-12/h3-5,7-8,12,20H,6,9-10H2,1-2H3
InChIKey: BDKCDORWDUWUOO-UHFFFAOYSA-N
Reference
CAS: 54980-13-1
Source
Properties Information
Molecule Weight: 313.35300000000007
TPSA？: 59.0
MolLogP？: 2.0093
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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