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CROSSBYANOL_B
SpectraBase Compound ID 33kFihxeUl6
InChI InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43)
InChIKey PGLDWZUFBSDOEM-UHFFFAOYSA-N
Mol Weight 1190.89 g/mol
Molecular Formula C30H15Br7O12S2
Exact Mass 1183.428859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F365NZQguKm
Name CROSSBYANOL_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H15Br7O12S2
InChI InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43)
InChIKey PGLDWZUFBSDOEM-UHFFFAOYSA-N
Literature Reference Author H.CHOI,N.ENGENE,J.H.SMITH,L.B.PRESKITT,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,73,517(2010)
Literature Reference DOI 10.1021/np900661g
Molecular Weight 1190.890 g/mol
Sample ID 35141
Solvent CD3OD