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15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYL-2-OXOCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(4A-R,5-S,6-S,8A-S)-6-[(BENZOYLOXY)-METHYL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYL-2-OXOCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(4A-R,5-S,6-S,8A-S)-6-[(BENZOYLOXY)-METHYL
SpectraBase Compound ID J32m0LkDsWj
InChI InChI=1S/C27H30O6/c1-26(11-8-18-10-13-32-16-18)20(17-33-25(31)19-6-4-3-5-7-19)9-12-27(2)22(24(29)30)14-21(28)15-23(26)27/h3-7,10,13-14,16,20,23H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,23+,26-,27-/m0/s1
InChIKey VMVRDPXOFKPSSN-OLSRWKBDSA-N
Mol Weight 450.53 g/mol
Molecular Formula C27H30O6
Exact Mass 450.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Vjj71n0YLP
Name 15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYL-2-OXOCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(4A-R,5-S,6-S,8A-S)-6-[(BENZOYLOXY)-METHYL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O6
InChI InChI=1S/C27H30O6/c1-26(11-8-18-10-13-32-16-18)20(17-33-25(31)19-6-4-3-5-7-19)9-12-27(2)22(24(29)30)14-21(28)15-23(26)27/h3-7,10,13-14,16,20,23H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,23+,26-,27-/m0/s1
InChIKey VMVRDPXOFKPSSN-OLSRWKBDSA-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 450.532 g/mol
Sample ID 37398
Solvent CDCl3