Diacetylmonocrotaline
AlkaPlorer ID: AK003515
Synonym: None
IUPAC Name: (6-acetyloxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl) acetate
Structure
SMILES: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)OC(=O)C)(C)OC(=O)C
InChI: InChI=1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3
InChIKey: QYZUGPWAGWFQNV-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 409.43500000000023
TPSA？: 108.44
MolLogP？: 0.7489999999999999
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 3
Activities Information
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