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(2S,9R)-2,9-DIHYDROXY-MEGASTIGMAN-5-EN-4-ONE
SpectraBase Compound ID CgysnFLNEux
InChI InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)11(15)7-12(16)13(10,3)4/h8,12,14,16H,5-7H2,1-4H3/t8-,12+/m1/s1
InChIKey ZIWRVQXUUFVUGE-PELKAZGASA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrvCKCwRov9
Name (2S,9R)-2,9-DIHYDROXY-MEGASTIGMAN-5-EN-4-ONE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)11(15)7-12(16)13(10,3)4/h8,12,14,16H,5-7H2,1-4H3/t8-,12+/m1/s1
InChIKey ZIWRVQXUUFVUGE-PELKAZGASA-N
Literature Reference Author Q.YU,H.OTSUKA,E.HIRATA,T.SHINZATO,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,50,640(2002)
Literature Reference DOI 10.1248/cpb.50.640
Molecular Weight 226.316 g/mol
Solvent CD3OD
Source File Reference UWVN8154