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MANGOSTENOL;1,3,5-TRIHYDROXY-2-(2-HYDROXY-3-METHYLBUT-3-ENYL)-7-METHOXY-8-(3-METHYLBUT-2-ENYL)-XANTHONE
SpectraBase Compound ID KWdxyMGRBrp
InChI InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3
InChIKey ATOPEAUOJODWMN-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C24H26O7
Exact Mass 426.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCz385UvAhT
Name Mangostenol
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O7
InChI InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3
InChIKey ATOPEAUOJODWMN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/np010566g
Molecular Weight 426.465 g/mol
Optical Rotation [a]D31 = -20.0 (c = 0.10, MeOH)
Reported Formula C24H26O7
SMILES Oc1c(c(cc2c1C(c1c(O2)cc(c(c1CC=C(C)C)OC)O)=O)O)CC(C(C)=C)O
SPLASH splash10-0a4i-0009100000-4618cb52dc226af6076f
Source of Spectrum G4-65-763-1
Wiley ID 1883637