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12-O-ACETYL-IODOVULONE-II

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12-O-ACETYL-IODOVULONE-II
SpectraBase Compound ID FAl8VtdZWE0
InChI InChI=1S/C23H31IO5/c1-4-5-6-7-10-13-16-23(29-18(2)25)17-20(24)22(27)19(23)14-11-8-9-12-15-21(26)28-3/h8,10-11,13-14,17H,4-7,9,12,15-16H2,1-3H3/b11-8+,13-10-,19-14-/t23-/m1/s1
InChIKey ZEOKCUBTUKMKQP-IFOWTQMNSA-N
Mol Weight 514.4 g/mol
Molecular Formula C23H31IO5
Exact Mass 514.121619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcLCfI2edct
Name 12-O-ACETYL-IODOVULONE-II
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31IO5
InChI InChI=1S/C23H31IO5/c1-4-5-6-7-10-13-16-23(29-18(2)25)17-20(24)22(27)19(23)14-11-8-9-12-15-21(26)28-3/h8,10-11,13-14,17H,4-7,9,12,15-16H2,1-3H3/b11-8+,13-10-,19-14-/t23-/m1/s1
InChIKey ZEOKCUBTUKMKQP-IFOWTQMNSA-N
Literature Reference Author K.WATANABE,M.SEKINE,K.IGUCHI
Literature Reference Citation J.NAT.PROD.,66,1434(2003)
Literature Reference DOI 10.1021/np030181t
Molecular Weight 514.401 g/mol
Solvent CDCl3
Source File Reference UWKP3215