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trans-9-Acetyl-6,7,11-trihydroxy-12-oxoxantho[2,3-g]tetralin
SpectraBase Compound ID 9fumncmkwBm
InChI InChI=1S/C19H16O6/c1-8(20)9-6-11-14(12(21)7-9)18(24)19-15(17(11)23)16(22)10-4-2-3-5-13(10)25-19/h2-5,9,12,21,23-24H,6-7H2,1H3/t9-,12+/m0/s1
InChIKey YNSCVRUVTCFCTK-JOYOIKCWSA-N
Mol Weight 340.33 g/mol
Molecular Formula C19H16O6
Exact Mass 340.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1aRispUpWx
Name trans-9-Acetyl-6,7,11-trihydroxy-12-oxoxantho[2,3-g]tetralin
CAS Registry Number 90623-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O6
InChI InChI=1S/C19H16O6/c1-8(20)9-6-11-14(12(21)7-9)18(24)19-15(17(11)23)16(22)10-4-2-3-5-13(10)25-19/h2-5,9,12,21,23-24H,6-7H2,1H3/t9-,12+/m0/s1
InChIKey YNSCVRUVTCFCTK-JOYOIKCWSA-N
Molecular Weight 340.331 g/mol
SMILES Oc1c2c(c(c3c1Oc1c(C3=O)cccc1)O)C[C@@](C[C@]2(O)[H])(C(=O)C)[H]
SPLASH splash10-00b9-0096000000-b9fb528902bee9963103
Source of Spectrum J-49-2855-0
Synonyms (7R,9S)-9-acetyl-6,7,11-trihydroxy-7,8,9,10-tetrahydro-12H-benzo[b]xanthen-12-one
Wiley ID 1335122