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Perlatolic acid

View entire compound with spectra: 3 NMR, and 2 MS (GC)

Perlatolic acid
SpectraBase Compound ID KbInbZtooR4
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kRCifkd1Zd
Name Perlatolic acid
CAS Registry Number 529-47-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, S. Huneck, Chemica Scripta 16, 197 (1980).
NMR Standard Acetone-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6