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15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYLCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(4A-R,5-S,6-S,8A-S)-6-[
SpectraBase Compound ID 9D3H6oXqN5
InChI InChI=1S/C27H32O5/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23+,26-,27-/m0/s1
InChIKey DLXCJIWTYVKNPT-NQOWKFHGSA-N
Mol Weight 436.5 g/mol
Molecular Formula C27H32O5
Exact Mass 436.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UovL3gkE7u
Name 15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYLCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(4A-R,5-S,6-S,8A-S)-6-[
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O5
InChI InChI=1S/C27H32O5/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23+,26-,27-/m0/s1
InChIKey DLXCJIWTYVKNPT-NQOWKFHGSA-N
Literature Reference Author B.S.SIMPSON,D.J.CLAUDIE,J.P.GERBER,S.M.PYKE,J.WANG,R.A.MCKIN NON,S.J.SEMPLE
Literature Reference Citation J.NAT.PROD.,74,650(2011)
Literature Reference DOI 10.1021/np100701s
Molecular Weight 436.548 g/mol
Sample ID 37396
Solvent CDCl3