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(1SR,4SR,4aRS,9aSR)-4-Ethoxy-5-hydroxy-1-methoxy-3-methyl-2-oxo-3,4,4a,9a-tetrahydro-1H-9,10-anthraquinone
SpectraBase Compound ID FN3cn9ccGcu
InChI InChI=1S/C18H20O6/c1-4-24-17-8(2)14(20)18(23-3)12-13(17)16(22)11-9(15(12)21)6-5-7-10(11)19/h5-8,12-13,17-19H,4H2,1-3H3/t8-,12+,13-,17-,18-/m0/s1
InChIKey BCJPXCHPACNZSI-QVGKSIDMSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXjMlKwnuHc
Name (1SR,4SR,4aRS,9aSR)-4-Ethoxy-5-hydroxy-1-methoxy-3-methyl-2-oxo-3,4,4a,9a-tetrahydro-1H-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-4-24-17-8(2)14(20)18(23-3)12-13(17)16(22)11-9(15(12)21)6-5-7-10(11)19/h5-8,12-13,17-19H,4H2,1-3H3/t8-,12+,13-,17-,18-/m0/s1
InChIKey BCJPXCHPACNZSI-QVGKSIDMSA-N
Molecular Weight 332.352 g/mol
SMILES Oc1c2c(C([C@]3([C@@](C2=O)([C@@](OCC)([C@](C([C@]3(OC)[H])=O)(C)[H])[H])[H])[H])=O)ccc1
SPLASH splash10-0udi-6094000000-0e2d3278ae2091ac430b
Source of Spectrum H-2005-2464-24
Synonyms (1S,3R,4S,4aR,9aS)-4-ethoxy-1-methoxy-3-methyl-5-oxidanyl-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
Wiley ID 1562875