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

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

15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYL-2-ALPHA-HYDROXYCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(3-R,4A-R,5-S,6-S,8A-S)-6-[
SpectraBase Compound ID KbzcFXq8zDw
InChI InChI=1S/C27H32O6/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/h3-7,10,13-14,16,20-21,23,28H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,21-,23+,26-,27-/m0/s1
InChIKey KRLNRFUNUIQBKJ-SNSAYHBYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C27H32O6
Exact Mass 452.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WJQsaIj5e5
Name 15,16-EPOXY-8-ALPHA-(BENZOYLOXY)-METHYL-2-ALPHA-HYDROXYCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(3-R,4A-R,5-S,6-S,8A-S)-6-[
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O6
InChI InChI=1S/C27H32O6/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/h3-7,10,13-14,16,20-21,23,28H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,21-,23+,26-,27-/m0/s1
InChIKey KRLNRFUNUIQBKJ-SNSAYHBYSA-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 452.547 g/mol
Sample ID 37397
Solvent CDCl3