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7-O-(5-PHENYL-2,4-PENTADIENOYL)-8-EPI-LOGANIC_ACID
SpectraBase Compound ID 5XKI5YAJZJD
InChI InChI=1S/C27H32O11/c1-14-18(36-20(29)10-6-5-9-15-7-3-2-4-8-15)11-16-17(25(33)34)13-35-26(21(14)16)38-27-24(32)23(31)22(30)19(12-28)37-27/h2-10,13-14,16,18-19,21-24,26-28,30-32H,11-12H2,1H3,(H,33,34)/b9-5+,10-6+/t14-,16-,18+,19+,21-,22+,23-,24+,26+,27-/m1/s1
InChIKey MSNDNUNQOBUSKE-WQIJAYMGSA-N
Mol Weight 532.5 g/mol
Molecular Formula C27H32O11
Exact Mass 532.194462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z9Bl9cS3bo
Name 7-O-(5-PHENYL-2,4-PENTADIENOYL)-8-EPI-LOGANIC_ACID
Compound Number 174
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O11
InChI InChI=1S/C27H32O11/c1-14-18(36-20(29)10-6-5-9-15-7-3-2-4-8-15)11-16-17(25(33)34)13-35-26(21(14)16)38-27-24(32)23(31)22(30)19(12-28)37-27/h2-10,13-14,16,18-19,21-24,26-28,30-32H,11-12H2,1H3,(H,33,34)/b9-5+,10-6+/t14-,16-,18+,19+,21-,22+,23-,24+,26+,27-/m1/s1
InChIKey MSNDNUNQOBUSKE-WQIJAYMGSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 532.544 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ16156