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(5-S,7-R,8-R,9-R,10-S)-(-)-7,8-SECO-7,8-OXACASSA-13,15-DIENE-7,17-DIOL
SpectraBase Compound ID Atw6ubudBVr
InChI InChI=1S/C20H32O3/c1-5-13-7-8-15-18(14(13)12-21)23-17(22)11-16-19(2,3)9-6-10-20(15,16)4/h5,15-18,21-22H,1,6-12H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1
InChIKey AXIGYXLFTGICHT-HBWRTXEVSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DczVbbifjX3
Name (5-S,7-R,8-R,9-R,10-S)-(-)-7,8-SECO-7,8-OXACASSA-13,15-DIENE-7,17-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-5-13-7-8-15-18(14(13)12-21)23-17(22)11-16-19(2,3)9-6-10-20(15,16)4/h5,15-18,21-22H,1,6-12H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1
InChIKey AXIGYXLFTGICHT-HBWRTXEVSA-N
Literature Reference Author J.J.MANRIQUEZ-TORRES,J.M.TORRES-VALENCIA,M.A.GOMEZ-HURTADO,V .MOTILVA,S.GARCIA-MA
Literature Reference Citation J.NAT.PROD.,74,1946(2011)
Literature Reference DOI 10.1021/np200445y
Molecular Weight 320.472 g/mol
Sample ID 39226
Solvent CDCl3