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(3R,5R)-5-(9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methyltetrahydro-2-furanone
SpectraBase Compound ID GHEhZzGYIHT
InChI InChI=1S/C19H14O7/c1-19(25)7-12(26-18(19)24)10-6-11(20)13-14(17(10)23)16(22)9-5-3-2-4-8(9)15(13)21/h2-6,12,20,23,25H,7H2,1H3/t12-,19-/m1/s1
InChIKey AYSHCLHSAPAODU-CWTRNNRKSA-N
Mol Weight 354.31 g/mol
Molecular Formula C19H14O7
Exact Mass 354.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 149biuXYiO
Name (3R,5R)-5-(9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracen-2-yl)-3-hydroxy-3-methyltetrahydro-2-furanone
CAS Registry Number 110561-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O7
InChI InChI=1S/C19H14O7/c1-19(25)7-12(26-18(19)24)10-6-11(20)13-14(17(10)23)16(22)9-5-3-2-4-8(9)15(13)21/h2-6,12,20,23,25H,7H2,1H3/t12-,19-/m1/s1
InChIKey AYSHCLHSAPAODU-CWTRNNRKSA-N
Molecular Weight 354.314 g/mol
SMILES Oc1c2c(c(c(c1)[C@@]1(OC(=O)[C@@](C1)(O)C)[H])O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-0gbc-0096000000-f48b1b62043d17e762a7
Source of Spectrum F-42-6642-11
Synonyms 1,4-Dihydroxy-2-[(2R,4R)-4-hydroxy-4-methyl-5-oxotetrahydro-2-furanyl]anthra-9,10-quinone
Wiley ID 1344468