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COMETIN-A-ACETATE
SpectraBase Compound ID LPasRNkwH69
InChI InChI=1S/C27H32O6/c1-18(8-6-10-22-14-24(31-17-22)15-23-11-12-30-16-23)7-5-9-19(2)13-25-26(32-21(4)28)20(3)27(29)33-25/h5,7,9,11-12,14,16-17,19,25H,6,8,10,13,15H2,1-4H3/b9-5+,18-7+/t19?,25-/m1/s1
InChIKey AKIFFUJYYMKYNG-QFIOSEGGSA-N
Mol Weight 452.5 g/mol
Molecular Formula C27H32O6
Exact Mass 452.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zvlQo3M3hn
Name COMETIN-A-ACETATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O6
InChI InChI=1S/C27H32O6/c1-18(8-6-10-22-14-24(31-17-22)15-23-11-12-30-16-23)7-5-9-19(2)13-25-26(32-21(4)28)20(3)27(29)33-25/h5,7,9,11-12,14,16-17,19,25H,6,8,10,13,15H2,1-4H3/b9-5+,18-7+/t19?,25-/m1/s1
InChIKey AKIFFUJYYMKYNG-QFIOSEGGSA-N
Literature Reference Author S.URBAN,R.J.CAPON
Literature Reference Citation AUSTR.J.CHEM.,45,1255(1992)
Literature Reference DOI 10.1071/ch9921255
Molecular Weight 452.547 g/mol
Solvent CDCl3
Source File Reference UWVP6264