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ISOSTEGNANE
SpectraBase Compound ID 173NYMLkXfC
InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey YIIRKVZAEAXDAD-DZGCQCFKSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8b5O6XhHkLe
Name ISOSTEGNANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey YIIRKVZAEAXDAD-DZGCQCFKSA-N
Literature Reference Author M.TAAFROUT,F.ROUESSAC,J.P.ROBIN,R.P.HICKS,D.D.SHILLADY,A.T.S NEDEN
Literature Reference Citation J.NAT.PROD.,47,600(1984)
Literature Reference DOI 10.1021/np50034a005
Molecular Weight 398.412 g/mol
Solvent CDCl3
Source File Reference UWCS3235