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(3R,4S)-3,4-dihydroxy-2,2,6-trimethyl-3,4-dihydropyrano[5,6-c]quinolin-5-one
SpectraBase Compound ID 8bIuCSP5v9o
InChI InChI=1S/C15H17NO4/c1-15(2)13(18)11(17)10-12(20-15)8-6-4-5-7-9(8)16(3)14(10)19/h4-7,11,13,17-18H,1-3H3/t11-,13+/m0/s1
InChIKey HEUVGODFDJKJTP-WCQYABFASA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyIE71X12pw
Name Orixalone D
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-15(2)13(18)11(17)10-12(20-15)8-6-4-5-7-9(8)16(3)14(10)19/h4-7,11,13,17-18H,1-3H3/t11-,13+/m0/s1
InChIKey HEUVGODFDJKJTP-WCQYABFASA-N
Instrument Name JEOL HX-110/JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np0401462
Optical Rotation [a]D24 = +3.1 (c = 0.064, MeOH)
Reported Formula C15H17NO4
SMILES O[C@@]1([C@](C(OC=2c3ccccc3N(C(C12)=O)C)(C)C)(O)[H])[H]
SPLASH splash10-0zfr-0190000000-3955e445b76858803169
Source of Spectrum G4-67-1802-4
Wiley ID 1881578