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16-alpha-O-METHYLNEOQUASSIN
SpectraBase Compound ID 75Ewq152ZGU
InChI InChI=1S/C23H32O6/c1-11-8-15(26-5)21(25)23(4)13(11)9-16-22(3)14(10-17(27-6)29-16)12(2)19(28-7)18(24)20(22)23/h8,11,13-14,16-17,20H,9-10H2,1-7H3/t11-,13+,14+,16-,17-,20+,22-,23+/m1/s1
InChIKey MSXBIQMJEOYRDV-WHPXZNMHSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF2fB48ypAk
Name Phenanthro[10,1-bc]pyran, picrasa-2,12-diene-1,11-dione deriv.
CAS Registry Number 89498-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-11-8-15(26-5)21(25)23(4)13(11)9-16-22(3)14(10-17(27-6)29-16)12(2)19(28-7)18(24)20(22)23/h8,11,13-14,16-17,20H,9-10H2,1-7H3/t11-,13+,14+,16-,17-,20+,22-,23+/m1/s1
InChIKey MSXBIQMJEOYRDV-WHPXZNMHSA-N
Molecular Weight 404.503 g/mol
SMILES [C@@]12([C@@]3([C@@]4([C@](C[C@@](O[C@@]4(C[C@]2([C@](C)(C=C(C1=O)OC)[H])[H])[H])(OC)[H])([H])C(=C(C3=O)OC)C)C)[H])C
SPLASH splash10-0uk9-0209000000-cf25a9d39bf005acf4e2
Source of Spectrum AJ-58-1798-5
Synonyms Picrasa-2,12-diene-1,11-dione, 2,12,16-trimethoxy-, (16.alpha.)- (16alpha)-2,12,16-trimethoxypicrasa-2,12-diene-1,11-dione 16.alpha.-O-methylneoquassin
Wiley ID 1371367