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PSAMMAPLYSIN_Y
SpectraBase Compound ID IVJqPdO9ZwR
InChI InChI=1S/C27H27Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h9-10,12-13,25,32,37H,2-8,11H2,1H3,(H,33,38)/t25-,27+/m0/s1
InChIKey AGYRMILSFUUODG-AHKZPQOWSA-N
Mol Weight 841.14 g/mol
Molecular Formula C27H27Br4N3O8
Exact Mass 836.853167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5w8bDeNHQeK
Name PSAMMAPLYSIN_Y
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27Br4N3O8
InChI InChI=1S/C27H27Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h9-10,12-13,25,32,37H,2-8,11H2,1H3,(H,33,38)/t25-,27+/m0/s1
InChIKey AGYRMILSFUUODG-AHKZPQOWSA-N
Literature Reference Author Y.J.LEE,S.HAN,H.S.LEE,J.S.KANG,J.YUN,C.J.SIM,H.J.SHIN,J.S.LE E
Literature Reference Citation J.NAT.PROD.,76,1731(2013)
Literature Reference DOI 10.1021/np400448y
Molecular Weight 841.143 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ43191