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1-HYDROXYVERRUCINE-B;(1S,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-HYDROXYL-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-PROPANAMIDE

View entire compound with spectra: 2 NMR

1-HYDROXYVERRUCINE-B;(1S,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-HYDROXYL-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-PROPANAMIDE
SpectraBase Compound ID 5IeELpF38aK
InChI InChI=1S/C21H20N4O4/c22-17(26)11-10-16-18(27)24-21(29,12-13-6-2-1-3-7-13)20-23-15-9-5-4-8-14(15)19(28)25(16)20/h1-9,16,29H,10-12H2,(H2,22,26)(H,24,27)/t16-,21-/m0/s1
InChIKey VRWTYMXXZJUVTP-KKSFZXQISA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H20N4O4
Exact Mass 392.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPocacYYiiG
Name 1-HYDROXYVERRUCINE-B;(1S,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-HYDROXYL-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-PROPANAMIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4O4
InChI InChI=1S/C21H20N4O4/c22-17(26)11-10-16-18(27)24-21(29,12-13-6-2-1-3-7-13)20-23-15-9-5-4-8-14(15)19(28)25(16)20/h1-9,16,29H,10-12H2,(H2,22,26)(H,24,27)/t16-,21-/m0/s1
InChIKey VRWTYMXXZJUVTP-KKSFZXQISA-N
Literature Reference Author H.WANG,M.M.SIM
Literature Reference Citation J.NAT.PROD.,64,1497(2001)
Literature Reference DOI 10.1021/np010342y
Molecular Weight 392.414 g/mol
Solvent CDCl3
Source File Reference UWSI2370