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3-HYDROXY-ISOVALERYL-SHIKONIN;(+)-3-HYDROXY-3-METHYL-BUTYRIC-ACID-1-(5,8-DIHYDROXY-1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-4-MEHTYL-PENT-3-ENYLESTER

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3-HYDROXY-ISOVALERYL-SHIKONIN;(+)-3-HYDROXY-3-METHYL-BUTYRIC-ACID-1-(5,8-DIHYDROXY-1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-4-MEHTYL-PENT-3-ENYLESTER
SpectraBase Compound ID 1SAeAZLKdzi
InChI InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
InChIKey MXANJRGHSFELEJ-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WJlOCtng8E
Name B-Hydroxy-isovaleryl-alkannin
CAS Registry Number 36112-88-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
InChIKey MXANJRGHSFELEJ-UHFFFAOYSA-N
Literature Reference V.P. Papageorgiou, Planta Medica 40, 305 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3