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21-B-Methyl-valepotriat iodohydrine
SpectraBase Compound ID 9CrrQpCxg3d
InChI InChI=1S/C26H39IO9/c1-7-16(4)9-21(29)36-24-23-18(17(13-34-24)12-33-22(30)11-25(5,6)31)10-19(26(23,32)14-27)35-20(28)8-15(2)3/h10,13,15-16,19,23-24,31-32H,7-9,11-12,14H2,1-6H3
InChIKey BTMKHFMZDGEHQK-UHFFFAOYSA-N
Mol Weight 622.5 g/mol
Molecular Formula C26H39IO9
Exact Mass 622.163878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvTK8FQzicp
Name 21-B-Methyl-valepotriat iodohydrine
CAS Registry Number 91897-41-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H39IO9
InChI InChI=1S/C26H39IO9/c1-7-16(4)9-21(29)36-24-23-18(17(13-34-24)12-33-22(30)11-25(5,6)31)10-19(26(23,32)14-27)35-20(28)8-15(2)3/h10,13,15-16,19,23-24,31-32H,7-9,11-12,14H2,1-6H3
InChIKey BTMKHFMZDGEHQK-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E. Finner, S. David, W. Thies, Planta Medica 50, 4 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3