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ALOE-EMODINE-8-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3MyFIiS2zJ3
InChI InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1
InChIKey KIZBWUUJNJEYCM-JNHRPPPUSA-N
Mol Weight 432.38 g/mol
Molecular Formula C21H20O10
Exact Mass 432.105647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVqjZC6VEvZ
Name 1-Hydroxy-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CAS Registry Number 33037-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O10
InChI InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1
InChIKey KIZBWUUJNJEYCM-JNHRPPPUSA-N
Molecular Weight 432.381 g/mol
SMILES Oc1cc(cc2c1C(c1c(O[C@]3([C@@]([C@]([C@@]([C@@](CO)(O3)[H])(O)[H])(O)[H])(O)[H])[H])cccc1C2=O)=O)CO
SPLASH splash10-00di-0190000000-4abce7ad82bcfc8c88c1
Source of Spectrum KO-6-378-7
Synonyms 1-Hydroxy-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione 1-Hydroxy-3-(hydroxymethyl)-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]anthracene-9,10-dione 1-Hydroxy-3-methylol-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-anthraquinone 3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-anthracene-9,10-dione
Wiley ID 1382166