1',2'-didehydrostemofoline
AlkaPlorer ID: AK021019
Synonym: '', "Stemofoline; 1',2'-Didehydro(E-)", 'Aspargamine A', 'Didehydrostemofoline', '16,17-Dihydro-4(E)-16(E)-stemofoline'
IUPAC Name: (5E)-5-[(1S,4S,5R,6R,8S,9R,13R)-9-[(E)-but-1-enyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: CC/C=C/[C@]12[C@@H]3C[C@@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42
InChI: InChI=1S/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18+/t11-,13+,14+,15-,16+,21+,22+/m0/s1
InChIKey: XNUWGEPKIOWLHQ-QAXLJXJPSA-N
Reference
Occurrence of the insecticidal 16,17-didehydro-16(E)-stemofoline in Stemona collinsae
PubChem CID: 162922766
LOTUS: LTS0196390
Source
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Properties Information
Molecule Weight: 385.46000000000015
TPSA？: 57.23000000000001
MolLogP？: 2.865600000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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