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Methyl (3R)-4-(1',5'-dihydroxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
SpectraBase Compound ID 5nHMXpmbR59
InChI InChI=1S/C20H18O7/c1-20(26,9-14(22)27-2)8-10-6-7-12-16(17(10)23)19(25)11-4-3-5-13(21)15(11)18(12)24/h3-7,21,23,26H,8-9H2,1-2H3/t20-/m1/s1
InChIKey XMUYRXXFZYWALB-HXUWFJFHSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PRdwp7Tl4F
Name Methyl (3R)-4-(1',5'-dihydroxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-20(26,9-14(22)27-2)8-10-6-7-12-16(17(10)23)19(25)11-4-3-5-13(21)15(11)18(12)24/h3-7,21,23,26H,8-9H2,1-2H3/t20-/m1/s1
InChIKey XMUYRXXFZYWALB-HXUWFJFHSA-N
Molecular Weight 370.357 g/mol
SMILES Oc1c2c(C(c3c(cccc3C2=O)O)=O)ccc1C[C@](CC(=O)OC)(O)C
SPLASH splash10-0udr-0089000000-e5b357c8de35a4492fba
Source of Spectrum B-47-2135-0
Synonyms Methyl (3R)-4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-hydroxy-3-methylbutanoate
Wiley ID 1354224