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(7E,9S,13S,14E)-7-DEOXY-7,14-DIEN-9-13-CYClODISCODERMOLIDE
SpectraBase Compound ID DPASOF53RBu
InChI InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,16-17,19-31,35-37H,1,15H2,2-9H3,(H2,34,39)/b13-11+,14-12+,18-16+/t17-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey WKUKGIOEHKVKMX-ZUTNIYOUSA-N
Mol Weight 575.8 g/mol
Molecular Formula C33H53NO7
Exact Mass 575.382203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KeFZ1paCfm
Name (7E,9S,13S,14E)-7-DEOXY-7,14-DIEN-9-13-CYClODISCODERMOLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H53NO7
InChI InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,16-17,19-31,35-37H,1,15H2,2-9H3,(H2,34,39)/b13-11+,14-12+,18-16+/t17-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey WKUKGIOEHKVKMX-ZUTNIYOUSA-N
Literature Reference Author S.P.GUNASEKERA,S.J.MICKEL,R.DAEFFLER,D.NIEDERER,A.E.WRIGHT,P .LINLEY,T.PITTS
Literature Reference Citation J.NAT.PROD.,67,749(2004)
Literature Reference DOI 10.1021/np030493w
Molecular Weight 575.786 g/mol
Solvent CD3CN
Source File Reference UWMZ5734