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(5S*,8R*,8aS*,9S*,10R*,10aR*)-4,9,10-Trihydroxy-1-methyloxy-5,8,8a,9,10,10a-hexahydro-5,8-methanoanthracene
SpectraBase Compound ID nSKImyg7PL
InChI InChI=1S/C16H18O4/c1-20-10-5-4-9(17)13-14(10)16(19)12-8-3-2-7(6-8)11(12)15(13)18/h2-5,7-8,11-12,15-19H,6H2,1H3/t7-,8+,11-,12+,15-,16+/m0/s1
InChIKey OJAKJMCONSVUGE-ZECLNBCESA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll6XLJtgTgJ
Name (5S*,8R*,8aS*,9S*,10R*,10aR*)-4,9,10-Trihydroxy-1-methyloxy-5,8,8a,9,10,10a-hexahydro-5,8-methanoanthracene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-20-10-5-4-9(17)13-14(10)16(19)12-8-3-2-7(6-8)11(12)15(13)18/h2-5,7-8,11-12,15-19H,6H2,1H3/t7-,8+,11-,12+,15-,16+/m0/s1
InChIKey OJAKJMCONSVUGE-ZECLNBCESA-N
Molecular Weight 274.316 g/mol
SMILES O[C@]1(c2c(c(ccc2OC)O)[C@]([C@@]2([C@]1([C@@]1(C=C[C@]2(C1)[H])[H])[H])[H])(O)[H])[H]
SPLASH splash10-00fr-0290000000-68154fdbd9ec7913979a
Source of Spectrum J-65-6333-30
Synonyms (1R,2S,3S,10R,11R,12S)-8-methoxytetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-4,6,8,13-tetraene-3,5,10-triol
Wiley ID 1533268