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WATTEROSE-H
SpectraBase Compound ID GNozwQxWxfV
InChI InChI=1S/C51H60O27/c1-24(54)67-21-32-36(59)39(62)41(64)49(71-32)74-43-42(73-34(57)18-15-26-13-16-29(56)17-14-26)33(22-68-25(2)55)72-50(44(43)75-48-40(63)38(61)35(58)30(19-52)70-48)78-51(23-69-46(65)27-9-5-3-6-10-27)45(37(60)31(20-53)77-51)76-47(66)28-11-7-4-8-12-28/h3-18,30-33,35-45,48-50,52-53,56,58-64H,19-23H2,1-2H3/b18-15+/t30-,31+,32-,33-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,48+,49+,50-,51-/m1/s1
InChIKey IEMFCOPZHAAADM-BVYCQYJWSA-N
Mol Weight 1105.0 g/mol
Molecular Formula C51H60O27
Exact Mass 1104.332197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FPBnIiIsQJ
Name WATTEROSE-H
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H60O27
InChI InChI=1S/C51H60O27/c1-24(54)67-21-32-36(59)39(62)41(64)49(71-32)74-43-42(73-34(57)18-15-26-13-16-29(56)17-14-26)33(22-68-25(2)55)72-50(44(43)75-48-40(63)38(61)35(58)30(19-52)70-48)78-51(23-69-46(65)27-9-5-3-6-10-27)45(37(60)31(20-53)77-51)76-47(66)28-11-7-4-8-12-28/h3-18,30-33,35-45,48-50,52-53,56,58-64H,19-23H2,1-2H3/b18-15+/t30-,31+,32-,33-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,48+,49+,50-,51-/m1/s1
InChIKey IEMFCOPZHAAADM-BVYCQYJWSA-N
Literature Reference Author W.KOBAYASHI,T.MIYASE,S.SUZUKI,H.NOGUCHI,X.M.CHEN
Literature Reference Citation J.NAT.PROD.,63,1121(2000)
Literature Reference DOI 10.1021/np000048q
Molecular Weight 1105.021 g/mol
Solvent CD3OD
Source File Reference UWRU7416