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9-(Hydroxymethyl)-6,11-dihydroxy-5-oxoxantho[3,2-g]tetralin
SpectraBase Compound ID F1IOhLCDvSq
InChI InChI=1S/C18H16O5/c19-8-9-5-6-10-12(7-9)17(22)18-14(15(10)20)16(21)11-3-1-2-4-13(11)23-18/h1-4,9,19-20,22H,5-8H2
InChIKey KVKQDCSMZYDNHD-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRtBiFelJg7
Name 9-(Hydroxymethyl)-6,11-dihydroxy-5-oxoxantho[3,2-g]tetralin
Alternate Name(s) 6,11-dihydroxy-8-(hydroxymethyl)-7,8,9,10-tetrahydro-12H-benzo[b]xanthen-12-one
CAS Registry Number 90623-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c19-8-9-5-6-10-12(7-9)17(22)18-14(15(10)20)16(21)11-3-1-2-4-13(11)23-18/h1-4,9,19-20,22H,5-8H2
InChIKey KVKQDCSMZYDNHD-UHFFFAOYSA-N
Molecular Weight 312.321 g/mol
SMILES Oc1c2c(c(c3c1CC(CC3)CO)O)C(c1c(O2)cccc1)=O
SPLASH splash10-03di-0039000000-81d03ac207756180815e
Source of Spectrum J-49-2852-0
Wiley ID 1313321