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1,12,14-TRIMETHYL-SPONGIACIDIN_A

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1,12,14-TRIMETHYL-SPONGIACIDIN_A
SpectraBase Compound ID 7LNUUbbng0b
InChI InChI=1S/C14H15Br2N5O2/c1-19-10-7(8(15)11(19)16)6(4-5-18-12(10)22)9-13(23)21(3)14(17)20(9)2/h17H,4-5H2,1-3H3,(H,18,22)/b9-6+,17-14?
InChIKey HAJFYBSLVMCHNM-VRVPZRNLSA-N
Mol Weight 445.12 g/mol
Molecular Formula C14H15Br2N5O2
Exact Mass 442.959251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hAr27LcOBt
Name 1,12,14-TRIMETHYL-SPONGIACIDIN_A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15Br2N5O2
InChI InChI=1S/C14H15Br2N5O2/c1-19-10-7(8(15)11(19)16)6(4-5-18-12(10)22)9-13(23)21(3)14(17)20(9)2/h17H,4-5H2,1-3H3,(H,18,22)/b9-6+,17-14?
InChIKey HAJFYBSLVMCHNM-VRVPZRNLSA-N
Literature Reference Author K.INABA,H.SATO,M.TSUDA,J.KOBAYASHI
Literature Reference Citation J.NAT.PROD.,61,693(1998)
Literature Reference DOI 10.1021/np970565h
Molecular Weight 445.113 g/mol
Solvent CDCl3
Source File Reference UWMZ584