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STAGONOLIDE_B;(5-BETA,8-ALPHA,9-ALPHA,10-BETA)-5,8,9-TRIHYDROXY-10-PROPYL-3,4,5,8,9,10-HEXAHYDRO-OXECIN-2-ONE
SpectraBase Compound ID F2ewDbpC12S
InChI InChI=1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
InChIKey BFIDNRPVSXOGQW-AZIMCRLHSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLDjjRSnkkA
Name STAGONOLIDE_B;(5-BETA,8-ALPHA,9-ALPHA,10-BETA)-5,8,9-TRIHYDROXY-10-PROPYL-3,4,5,8,9,10-HEXAHYDRO-OXECIN-2-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
InChIKey BFIDNRPVSXOGQW-AZIMCRLHSA-N
Literature Reference Author A.EVIDENTE,A.CIMMINO,A.BERESTETSKIY,G.MITINA,A.ANDOLFI,A.MOT TA
Literature Reference Citation J.NAT.PROD.,71,31(2008)
Literature Reference DOI 10.1021/np0703038
Molecular Weight 244.288 g/mol
Sample ID 27091
Solvent CDCl3