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N-Acetylneooncinotine
SpectraBase Compound ID KHZz1nLcF5d
InChI InChI=1S/C25H47N3O2/c1-23(29)26-18-14-22-28-21-13-12-20-27-19-11-10-16-24(27)15-8-6-4-2-3-5-7-9-17-25(28)30/h24H,2-22H2,1H3,(H,26,29)/t24-/m1/s1
InChIKey KMFBUMFOFOEYOI-XMMPIXPASA-N
Mol Weight 421.7 g/mol
Molecular Formula C25H47N3O2
Exact Mass 421.366828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BimLphOPWOm
Name N-Acetylneooncinotine
Alternate Name(s) (R)-N-(3-(11-oxoicosahydro-10H-pyrido[1,2-f][1,6]diazacyclooctadecin-10-yl)propyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H47N3O2
InChI InChI=1S/C25H47N3O2/c1-23(29)26-18-14-22-28-21-13-12-20-27-19-11-10-16-24(27)15-8-6-4-2-3-5-7-9-17-25(28)30/h24H,2-22H2,1H3,(H,26,29)/t24-/m1/s1
InChIKey KMFBUMFOFOEYOI-XMMPIXPASA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 421.670 g/mol
SMILES N(CCCN1C(CCCCCCCCCC[C@@]2(CCCCN2CCCC1)[H])=O)C(C)=O
SPLASH splash10-00ds-9801400000-0a0ace67ec79067f3f30
Source of Spectrum H-59-3025-34
Wiley ID 1800021