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(1SR,4SR,4aRS,9aSR)-4-Ethoxy-5-hydroxy-1-methoxy-2-oxo-3,4,4a,9a-tetrahydro-1H-9,10-anthraquinone
SpectraBase Compound ID 1fhCfG3iDWC
InChI InChI=1S/C17H18O6/c1-3-23-11-7-10(19)17(22-2)14-13(11)16(21)12-8(15(14)20)5-4-6-9(12)18/h4-6,11,13-14,17-18H,3,7H2,1-2H3/t11-,13-,14+,17+/m0/s1
InChIKey LLABKXHYHUTQKV-HVOFVXBASA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lv4pis5JNS6
Name (1SR,4SR,4aRS,9aSR)-4-Ethoxy-5-hydroxy-1-methoxy-2-oxo-3,4,4a,9a-tetrahydro-1H-9,10-anthraquinone
Alternate Name(s) (1S,4S,4aR,9aS)-4-ethoxy-1-methoxy-5-oxidanyl-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-3-23-11-7-10(19)17(22-2)14-13(11)16(21)12-8(15(14)20)5-4-6-9(12)18/h4-6,11,13-14,17-18H,3,7H2,1-2H3/t11-,13-,14+,17+/m0/s1
InChIKey LLABKXHYHUTQKV-HVOFVXBASA-N
Molecular Weight 318.325 g/mol
SMILES Oc1c2C([C@@]3([C@](C(=O)c2ccc1)([C@](OC)(C(C[C@@]3(OCC)[H])=O)[H])[H])[H])=O
SPLASH splash10-02gf-9441000000-8b6bd1011d95d937a716
Source of Spectrum H-2005-2464-23
Wiley ID 1562876