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PLAGIONEURIN_E

View entire compound with spectra: 1 NMR

PLAGIONEURIN_E
SpectraBase Compound ID 1hKaRtonfig
InChI InChI=1S/C39H68O9/c1-4-5-6-7-8-9-10-11-12-13-22-35(43)37-25-26-38(48-37)36(44)28-34(47-30(3)40)21-17-16-19-32(41)18-14-15-20-33(42)24-23-31-27-29(2)46-39(31)45/h27,29,33-38,42-44H,4-26,28H2,1-3H3/t29-,33?,34?,35+,36+,37+,38+/m0/s1
InChIKey OJFDGOAJDAPKNG-QZBJIPNWSA-N
Mol Weight 681.0 g/mol
Molecular Formula C39H68O9
Exact Mass 680.486334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bd2b9KcCDe7
Name PLAGIONEURIN_E
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H68O9
InChI InChI=1S/C39H68O9/c1-4-5-6-7-8-9-10-11-12-13-22-35(43)37-25-26-38(48-37)36(44)28-34(47-30(3)40)21-17-16-19-32(41)18-14-15-20-33(42)24-23-31-27-29(2)46-39(31)45/h27,29,33-38,42-44H,4-26,28H2,1-3H3/t29-,33?,34?,35+,36+,37+,38+/m0/s1
InChIKey OJFDGOAJDAPKNG-QZBJIPNWSA-N
Literature Reference Author V.EPARVIER,V.H.HGUYEN,O.THOISON,M.T.MARTIN,T.SEVENET,F.GUERI TTE
Literature Reference Citation J.NAT.PROD.,69,1289(2006)
Literature Reference DOI 10.1021/np060168j
Molecular Weight 680.964 g/mol
Solvent CDCl3
Source File Reference UWMZ15468