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Ceratonicine
SpectraBase Compound ID GXyAjZxFqRF
InChI InChI=1S/C21H21NO7/c1-4-26-21(24)13-9-16-17(28-11-27-16)10-15(13)29-19-14(25-3)6-5-12-7-8-22(2)20(23)18(12)19/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKey DPZCFIAGDKRHBR-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7flQNFOem9t
Name Ceratonicine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-4-26-21(24)13-9-16-17(28-11-27-16)10-15(13)29-19-14(25-3)6-5-12-7-8-22(2)20(23)18(12)19/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKey DPZCFIAGDKRHBR-UHFFFAOYSA-N
Molecular Weight 399.399 g/mol
SMILES c12C(N(C)CCc2ccc(c1Oc1c(cc2c(c1)OCO2)C(=O)OCC)OC)=O
SPLASH splash10-0005-0579200000-e1ebaaf1d2dd3b0f7cdd
Source of Spectrum X2-53-1008-2
Wiley ID 1603680