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AKNADININE;4-O-DEMETHYLHASUBANONINE
SpectraBase Compound ID KJUNy7saqMd
InChI InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1
InChIKey XLWYWPDYNLZUJS-VQTJNVASSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H25NO5
Exact Mass 359.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKGYNonULZ5
Name Aknadinine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1
InChIKey XLWYWPDYNLZUJS-VQTJNVASSA-N
Molecular Weight 359.422 g/mol
SMILES Oc1c2[C@]34[C@@](C(=C(C(=O)C4)OC)OC)(N(CC3)C)CCc2ccc1OC
SPLASH splash10-0udi-0049000000-ae04f7becb5cb05bdf3c
Source of Spectrum G4-59-479-11
Synonyms 4-Hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
Wiley ID 1606353