John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F0i6k7lP52U SpectraBase Spectrum ID=3J1jNeJDsv4

(accessed ).
PALLENIC-ACID;#1;(REL-3R,3A-S,9A-R)-3,3A,9,9A-TETRAHYDRO-6-HYDROXY-3A,8-DIMETHOXY-3,7,9A-TRIMETHYL-1-OXO-5-(1-OXOBUTYL)-1-H-FURO-[3,4-B]-1-BENZOPYRAN
SpectraBase Compound ID F0i6k7lP52U
InChI InChI=1S/C21H26O9/c1-7-8-12(22)13-14(23)10(2)15(27-5)11-9-19(3)18(26)30-20(4,17(24)25)21(19,28-6)29-16(11)13/h23H,7-9H2,1-6H3,(H,24,25)/t19-,20-,21-/m1/s1
InChIKey ACZQKENEXNGSNS-NJDAHSKKSA-N
Mol Weight 422.43 g/mol
Molecular Formula C21H26O9
Exact Mass 422.157683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3J1jNeJDsv4
Name PALLENIC-ACID;#1;(REL-3R,3A-S,9A-R)-3,3A,9,9A-TETRAHYDRO-6-HYDROXY-3A,8-DIMETHOXY-3,7,9A-TRIMETHYL-1-OXO-5-(1-OXOBUTYL)-1-H-FURO-[3,4-B]-1-BENZOPYRAN
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O9
InChI InChI=1S/C21H26O9/c1-7-8-12(22)13-14(23)10(2)15(27-5)11-9-19(3)18(26)30-20(4,17(24)25)21(19,28-6)29-16(11)13/h23H,7-9H2,1-6H3,(H,24,25)/t19-,20-,21-/m1/s1
InChIKey ACZQKENEXNGSNS-NJDAHSKKSA-N
Literature Reference Author T.LOBO-ECHEVERRI,J.F.RIVERO-CRUZ,B.N.SU,H.B.CHAI,G.A.CORDELL ,J.M.PEZZUTO,S.M.SWA
Literature Reference Citation J.NAT.PROD.,68,577(2005)
Literature Reference DOI 10.1021/np0496688
Molecular Weight 422.432 g/mol
Solvent CD3OD
Source File Reference UWMZ9637
SpectraBase Batch ID GDopFNCbIok