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Calditol acetate
SpectraBase Compound ID ArshxPRoX4l
InChI InChI=1S/C27H38O18/c1-13(28)37-10-22(40-16(4)31)24(42-18(6)33)26(44-20(8)35)27(45-21(9)36,12-39-15(3)30)25(43-19(7)34)23(41-17(5)32)11-38-14(2)29/h22-26H,10-12H2,1-9H3
InChIKey UULWAYGYEQIWDW-UHFFFAOYSA-N
Mol Weight 650.6 g/mol
Molecular Formula C27H38O18
Exact Mass 650.205814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55pEBxoTVGP
Name Calditol acetate
CAS Registry Number 74578-16-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H38O18
InChI InChI=1S/C27H38O18/c1-13(28)37-10-22(40-16(4)31)24(42-18(6)33)26(44-20(8)35)27(45-21(9)36,12-39-15(3)30)25(43-19(7)34)23(41-17(5)32)11-38-14(2)29/h22-26H,10-12H2,1-9H3
InChIKey UULWAYGYEQIWDW-UHFFFAOYSA-N
Literature Reference M. De Rosa, S. De Rosa, Phytochem. 19, 249 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported