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MYXOSTIOL;(7R*,8R*,8AS*)-7,8-DIHYDRO-3,4,7-TRIMETHYL-1H,8AH-6-OXO-CYCLOHEXA-[4,3-C]-PYRAN
SpectraBase Compound ID AJr6kTyPINk
InChI InChI=1S/C12H16O4/c1-6-7(2)16-5-9-8(6)4-10(13)12(3,15)11(9)14/h4,9,11,14-15H,5H2,1-3H3/t9-,11-,12+/m1/s1
InChIKey SFZUIGFAXCQTLI-JLLWLGSASA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6joeeAhuSIe
Name (7R*,8R*,8aS*)-7,8-dihydroxy-3,4,7-trimethyl-1H,8aH-6-oxo-cyclohexa[4,3-c]pyran
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-6-7(2)16-5-9-8(6)4-10(13)12(3,15)11(9)14/h4,9,11,14-15H,5H2,1-3H3/t9-,11-,12+/m1/s1
InChIKey SFZUIGFAXCQTLI-JLLWLGSASA-N
Instrument Name HITACHI M80
Ionization Type EI
Literature Reference DOI 10.1021/np010600r
Molecular Weight 224.256 g/mol
Optical Rotation [a]D25 = -134.7 (c = 1.0, MeOH)
SMILES O[C@@]1([C@@]([C@@]2(COC(=C(C2=CC1=O)C)C)[H])(O)[H])C
SPLASH splash10-01xx-0920000000-471032965dcfcae030da
Source of Spectrum G4-65-623-2
Synonyms Myxostiol
Wiley ID 1883630