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(1R,4aS,9aR)-1-O-Acetyl-1,9a-dihydroxy-2,3,4,4a,9,9a-hexahydroxanthen-9-one
SpectraBase Compound ID s8WzeUzGqX
InChI InChI=1S/C15H16O5/c1-9(16)19-12-7-4-8-13-15(12,18)14(17)10-5-2-3-6-11(10)20-13/h2-3,5-6,12-13,18H,4,7-8H2,1H3/t12-,13+,15+/m1/s1
InChIKey HMJALROQWCHWDT-IPYPFGDCSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5eGtNuou6X
Name (1R,4aS,9aR)-1-O-Acetyl-1,9a-dihydroxy-2,3,4,4a,9,9a-hexahydroxanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-9(16)19-12-7-4-8-13-15(12,18)14(17)10-5-2-3-6-11(10)20-13/h2-3,5-6,12-13,18H,4,7-8H2,1H3/t12-,13+,15+/m1/s1
InChIKey HMJALROQWCHWDT-IPYPFGDCSA-N
Molecular Weight 276.288 g/mol
SMILES O[C@@]12C(c3ccccc3O[C@]2(CCC[C@]1(OC(=O)C)[H])[H])=O
SPLASH splash10-0229-0920000000-5bfe7986cacd755a4d6d
Source of Spectrum QE-12-3651-10
Synonyms (1R,4aS,9aR)-9a-hydroxy-9-oxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-yl acetate 1-O-Acetyl-1,9a-dihydroxy-2,3,4,4a,9,9a-hexahydroxanthen-9-one
Wiley ID 1586937