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15,16-EPOXY-2-ALPHA-BENZOYLOXYCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(3-R,4A-R,5-R,6-S,8A-S)-3-(BENZOYLOXY)-5-
SpectraBase Compound ID DjQmuiKbMxo
InChI InChI=1S/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21+,23-,26+,27+/m1/s1
InChIKey FHFVNFYWYHLICU-UFWJMSHCSA-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 8Pk47bsrOZr
Name 15,16-EPOXY-2-ALPHA-BENZOYLOXYCLERODA-3,13-(16),14-TRIEN-18-OIC_ACID;REL-(3-R,4A-R,5-R,6-S,8A-S)-3-(BENZOYLOXY)-5-
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O5
InChI InChI=1S/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21+,23-,26+,27+/m1/s1
InChIKey FHFVNFYWYHLICU-UFWJMSHCSA-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 37399
Solvent CDCl3