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4,8-DIACETOXY-2-(1-ACETOXYHEPTYL)-3,4,5,6,7,8-HEXAHYDRO-2H-1-BENZOPYRAN-5-ONE
SpectraBase Compound ID 5VEWWpiDNfl
InChI InChI=1S/C22H32O8/c1-5-6-7-8-9-17(27-13(2)23)19-12-20(29-15(4)25)21-16(26)10-11-18(22(21)30-19)28-14(3)24/h17-20H,5-12H2,1-4H3/t17-,18?,19+,20-/m1/s1
InChIKey DVYVBZOIEXCJRU-ZZQCPNMFSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hi5oBlc3OLK
Name 4,8-DIACETOXY-2-(1-ACETOXYHEPTYL)-3,4,5,6,7,8-HEXAHYDRO-2H-1-BENZOPYRAN-5-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O8
InChI InChI=1S/C22H32O8/c1-5-6-7-8-9-17(27-13(2)23)19-12-20(29-15(4)25)21-16(26)10-11-18(22(21)30-19)28-14(3)24/h17-20H,5-12H2,1-4H3/t17-,18?,19+,20-/m1/s1
InChIKey DVYVBZOIEXCJRU-ZZQCPNMFSA-N
Literature Reference Author R.W.DUNLOP,A.SIMON,K.SIVASITHAMPARAM,E.L.GHISALBERTI
Literature Reference Citation J.NAT.PROD.,52,67(1989)
Literature Reference DOI 10.1021/np50061a008
Molecular Weight 424.491 g/mol
Solvent CDCl3
Source File Reference UWTS983