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PULICANADIENAL_B;(1E,5E)-8-BETA-ACETOXY-4-ALPHA-HYDROXY-7-BETA-H-GERMACRA-1(10),5-DIEN-14-AL
SpectraBase Compound ID 4FLls3W5Fmq
InChI InChI=1S/C17H26O4/c1-12(2)15-7-9-17(4,20)8-5-6-14(11-18)10-16(15)21-13(3)19/h6-7,9,11-12,15-16,20H,5,8,10H2,1-4H3/b9-7+,14-6+/t15-,16+,17+/m0/s1
InChIKey LJPDGWZMSFNUPH-SEIALCNHSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rlmf4B5kwC
Name PULICANADIENAL_B;(1E,5E)-8-BETA-ACETOXY-4-ALPHA-HYDROXY-7-BETA-H-GERMACRA-1(10),5-DIEN-14-AL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-12(2)15-7-9-17(4,20)8-5-6-14(11-18)10-16(15)21-13(3)19/h6-7,9,11-12,15-16,20H,5,8,10H2,1-4H3/b9-7+,14-6+/t15-,16+,17+/m0/s1
InChIKey LJPDGWZMSFNUPH-SEIALCNHSA-N
Literature Reference Author J.TRIANA,M.LOPEZ,F.J.PEREZ,J.GONZALEZ-PLATAS,J.QUINTANA,F.ES TEVEZ,F.LEON,J.BERME
Literature Reference Citation J.NAT.PROD.,68,523(2005)
Literature Reference DOI 10.1021/np0496183
Molecular Weight 294.391 g/mol
Solvent CDCl3
Source File Reference UWMZ9759