John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=J9pAiguV4o0 SpectraBase Spectrum ID=9MjpccUsM6b

(accessed ).
Cassialactone
SpectraBase Compound ID J9pAiguV4o0
InChI InChI=1S/C16H16O6/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)12(8)14(18)13(9)15(19)22-7-16/h3-5,17-18,20H,6-7H2,1-2H3
InChIKey SOTIRKODYDVBCJ-UHFFFAOYSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MjpccUsM6b
Name Cassialactone
CAS Registry Number 80489-64-1
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)12(8)14(18)13(9)15(19)22-7-16/h3-5,17-18,20H,6-7H2,1-2H3
InChIKey SOTIRKODYDVBCJ-UHFFFAOYSA-N
Literature Reference S. Kitanaka, M. Takido, Phytochem. 20, 1951 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6
SpectraBase Batch ID 1JKGDrlvNMI