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SPICATOLIDE_E

View entire compound with spectra: 1 NMR

SPICATOLIDE_E
SpectraBase Compound ID 3BPRK9LlOHz
InChI InChI=1S/C21H28O8/c1-6-12(2)17(22)27-15-10-20(4,24)21(25)8-7-19(3,29-21)9-14-16(15)13(11-26-5)18(23)28-14/h6,9,15,24-25H,7-8,10-11H2,1-5H3/b12-6+,14-9+/t15-,19+,20-,21-/m0/s1
InChIKey KQQVPPZTGZRRJD-FXCQTAGDSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F64pz7RlapM
Name SPICATOLIDE_E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-6-12(2)17(22)27-15-10-20(4,24)21(25)8-7-19(3,29-21)9-14-16(15)13(11-26-5)18(23)28-14/h6,9,15,24-25H,7-8,10-11H2,1-5H3/b12-6+,14-9+/t15-,19+,20-,21-/m0/s1
InChIKey KQQVPPZTGZRRJD-FXCQTAGDSA-N
Literature Reference Author Y.L.YANG,S.M.CHANG,C.C.WU,P.W.HSIEH,S.L.CHEN,F.R.CHANG,W.C.H UNG,H.H.ISSA,Y.C.WU
Literature Reference Citation J.NAT.PROD.,70,1761(2007)
Literature Reference DOI 10.1021/np070331q
Molecular Weight 408.449 g/mol
Sample ID 31046
Solvent CDCl3