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8,9-Dihydroxy-1-acetoxy-10-oxo-1-(R*),4,4a(S*),9(R*),9a(R*),10-hexahydroanthracene
SpectraBase Compound ID IZ4cV7GkeOg
InChI InChI=1S/C16H16O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,16,18,20H,5H2,1H3/t10-,12+,14-,16-/m0/s1
InChIKey SGHIINARMKQKQK-MXZCIGPVSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfxgADb1qha
Name 8,9-Dihydroxy-1-acetoxy-10-oxo-1-(R*),4,4a(S*),9(R*),9a(R*),10-hexahydroanthracene
CAS Registry Number 86668-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,16,18,20H,5H2,1H3/t10-,12+,14-,16-/m0/s1
InChIKey SGHIINARMKQKQK-MXZCIGPVSA-N
Molecular Weight 288.299 g/mol
SMILES Oc1c2[C@@]([C@]3([C@@](C(c2ccc1)=O)(CC=C[C@]3(OC(=O)C)[H])[H])[H])(O)[H]
SPLASH splash10-0udi-0950000000-b04cd9120073bc92ecf4
Source of Spectrum J-48-3259-0
Synonyms (1R,4aS,9R,9aR)-8,9-dihydroxy-10-oxo-1,4,4a,9,9a,10-hexahydro-1-anthracenyl acetate
Wiley ID 1291657