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Cephatonine

View entire compound with spectra: 1 MS (GC)

Cephatonine
SpectraBase Compound ID LprKbY317s7
InChI InChI=1S/C20H25NO5/c1-21-8-7-19-11-15(23)17(25-3)18(26-4)20(19,21)6-5-12-9-14(22)16(24-2)10-13(12)19/h9-10,22H,5-8,11H2,1-4H3
InChIKey HTOHHJTUVLJPIE-UHFFFAOYSA-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 IPSzc1jqC5C
Name Cephatonine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-21-8-7-19-11-15(23)17(25-3)18(26-4)20(19,21)6-5-12-9-14(22)16(24-2)10-13(12)19/h9-10,22H,5-8,11H2,1-4H3
InChIKey HTOHHJTUVLJPIE-UHFFFAOYSA-N
Molecular Weight 359.422 g/mol
SMILES Oc1cc2CCC34C(c2cc1OC)(CC(C(=C4OC)OC)=O)CCN3C
SPLASH splash10-0udi-0019000000-0b1232c80a7906deaaea
Source of Spectrum G4-59-478-5
Synonyms 2-Hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
Wiley ID 1606293