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PSAMMAPLYSIN_X;ISOMER_1

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PSAMMAPLYSIN_X;ISOMER_1
SpectraBase Compound ID 9ZrRgJW3Bt3
InChI InChI=1S/C27H26Br4ClN3O8/c1-40-23-17(30)10-27(42-12-18(23)31)25(38)21(35-43-27)26(39)34-4-2-6-41-24-15(28)7-13(8-16(24)29)3-5-33-11-14-20(36)9-19(32)22(14)37/h7-8,11-12,19,25,33,38H,2-6,9-10H2,1H3,(H,34,39)/b14-11+/t19?,25-,27+/m0/s1
InChIKey YNMCLVMISHJRBL-LNJOABONSA-N
Mol Weight 875.59 g/mol
Molecular Formula C27H26Br4ClN3O8
Exact Mass 870.814195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62SUL7TiJJU
Name PSAMMAPLYSIN_X;ISOMER_2
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26Br4ClN3O8
InChI InChI=1S/C27H26Br4ClN3O8/c1-40-23-17(30)10-27(42-12-18(23)31)25(38)21(35-43-27)26(39)34-4-2-6-41-24-15(28)7-13(8-16(24)29)3-5-33-11-14-20(36)9-19(32)22(14)37/h7-8,11-12,19,25,33,38H,2-6,9-10H2,1H3,(H,34,39)/b14-11+/t19?,25-,27+/m0/s1
InChIKey YNMCLVMISHJRBL-LNJOABONSA-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 875.588 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ43188