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DIACETYL-HEXADELLIN-A
SpectraBase Compound ID DbAuXcQLxMc
InChI InChI=1S/C25H27Br4N3O7/c1-13(33)30-7-5-15-9-16(26)21(17(27)10-15)37-8-4-6-31-24(35)19-12-25(39-32-19)11-18(28)22(36-3)20(29)23(25)38-14(2)34/h9-11,23H,4-8,12H2,1-3H3,(H,30,33)(H,31,35)/t23-,25+/m0/s1
InChIKey PNKDABJLNHYIPH-UKILVPOCSA-N
Mol Weight 801.12 g/mol
Molecular Formula C25H27Br4N3O7
Exact Mass 796.858252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Diq3teXRbj
Name DIACETYL-HEXA-DELLIN-A
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27Br4N3O7
InChI InChI=1S/C25H27Br4N3O7/c1-13(33)30-7-5-15-9-16(26)21(17(27)10-15)37-8-4-6-31-24(35)19-12-25(39-32-19)11-18(28)22(36-3)20(29)23(25)38-14(2)34/h9-11,23H,4-8,12H2,1-3H3,(H,30,33)(H,31,35)/t23-,25+/m0/s1
InChIKey PNKDABJLNHYIPH-UKILVPOCSA-N
Literature Reference Author M.R.KERNAN,R.C.CAMBIE,P.R.BERGQUIST
Literature Reference Citation J.NAT.PROD.,53,615(1990)
Literature Reference DOI 10.1021/np50069a012
Molecular Weight 801.121 g/mol
Solvent CDCl3
Source File Reference UWRU289