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SEIPJGOTFNPUHZ-XBPFQDTASA-N
SpectraBase Compound ID HGpkt38IQ8K
InChI InChI=1S/C43H40Br2O12/c1-22-29(53-35(47)25-11-15-27(44)16-12-25)20-41-32(22)43(51,38(50)57-39(41,3)4)40(5)30(54-36(48)26-13-17-28(45)18-14-26)19-31-42(21-52-31,56-23(2)46)33(40)34(41)55-37(49)24-9-7-6-8-10-24/h6-18,29-31,33-34,51H,19-21H2,1-5H3/t29?,30-,31+,33-,34-,40+,41-,42-,43+/m0/s1
InChIKey SEIPJGOTFNPUHZ-XBPFQDTASA-N
Mol Weight 908.6 g/mol
Molecular Formula C43H40Br2O12
Exact Mass 906.088653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11xhK79sbSy
Name SEIPJGOTFNPUHZ-XBPFQDTASA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H40Br2O12
InChI InChI=1S/C43H40Br2O12/c1-22-29(53-35(47)25-11-15-27(44)16-12-25)20-41-32(22)43(51,38(50)57-39(41,3)4)40(5)30(54-36(48)26-13-17-28(45)18-14-26)19-31-42(21-52-31,56-23(2)46)33(40)34(41)55-37(49)24-9-7-6-8-10-24/h6-18,29-31,33-34,51H,19-21H2,1-5H3/t29?,30-,31+,33-,34-,40+,41-,42-,43+/m0/s1
InChIKey SEIPJGOTFNPUHZ-XBPFQDTASA-N
Literature Reference Author D.G.VANDERVELDE,G.I.GEORG,S.R.GOLLAPUDI,H.B.JAMPANI,X.Z.LIAN G,L.A.MITSCHER,Q.M.Y
Literature Reference Citation J.NAT.PROD.,57,862(1994)
Literature Reference DOI 10.1021/np50108a032
Molecular Weight 908.591 g/mol
Solvent CDCl3
Source File Reference UWTS1806