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1-ALPHA,7-ALPHA,10-BETA-H-4-OXO-6-ALPHA-SENECIOYLOXY-8-BETA-ACETOXY-PSEUDOGUAIA-2(3),11(13)-DIEN-9-BETA,12-OLIDE
SpectraBase Compound ID BIppLXedMSd
InChI InChI=1S/C22H26O7/c1-10(2)9-16(25)28-20-17-12(4)21(26)29-18(19(17)27-13(5)23)11(3)14-7-8-15(24)22(14,20)6/h7-9,11,14,17-20H,4H2,1-3,5-6H3/t11-,14-,17+,18-,19+,20+,22-/m0/s1
InChIKey KLATVUIPSKVYHP-MFCMTJOGSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ntKuBrndfK
Name 1-ALPHA,7-ALPHA,10-BETA-H-4-OXO-6-ALPHA-SENECIOYLOXY-8-BETA-ACETOXY-PSEUDOGUAIA-2(3),11(13)-DIEN-9-BETA,12-OLIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-10(2)9-16(25)28-20-17-12(4)21(26)29-18(19(17)27-13(5)23)11(3)14-7-8-15(24)22(14,20)6/h7-9,11,14,17-20H,4H2,1-3,5-6H3/t11-,14-,17+,18-,19+,20+,22-/m0/s1
InChIKey KLATVUIPSKVYHP-MFCMTJOGSA-N
Literature Reference Author F.GAO,H.WANG,T.J.MABRY,J.JAKUPOVIC
Literature Reference Citation PHYTOCHEM.,30,553(1991)
Literature Reference DOI 10.1016/0031-9422(91)83726-2
Molecular Weight 402.444 g/mol
Solvent CDCl3
Source File Reference UWKP6631