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Vautheriol-2'-methylbutyrate
SpectraBase Compound ID 75wdZWqXnf2
InChI InChI=1S/C27H42O9/c1-7-16(2)25(31)35-23-11-22(17(3)13-33-20(6)30)12-24-27(15-28,36-24)10-8-9-21(23)14-34-26(32)18(4)19(5)29/h9,16,18-19,22-24,28-29H,3,7-8,10-15H2,1-2,4-6H3/b21-9+
InChIKey AKLYDXNSRKZWDJ-ZVBGSRNCSA-N
Mol Weight 510.6 g/mol
Molecular Formula C27H42O9
Exact Mass 510.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GoxXMzEGyg
Name Vautheriol-2'-methylbutyrate
CAS Registry Number 80453-62-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H42O9
InChI InChI=1S/C27H42O9/c1-7-16(2)25(31)35-23-11-22(17(3)13-33-20(6)30)12-24-27(15-28,36-24)10-8-9-21(23)14-34-26(32)18(4)19(5)29/h9,16,18-19,22-24,28-29H,3,7-8,10-15H2,1-2,4-6H3/b21-9+
InChIKey AKLYDXNSRKZWDJ-ZVBGSRNCSA-N
Literature Reference F. Bohlmann, A. Suwita, Phytochem. 20, 1649 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6