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Sinugibberoside C [(1S*,4S*,5S*,9R*,11S*,12S*,15R*)-4,5-epoxy-12,15-epidioxy-17-acetoxy-xeniaphylla-8(19),13,dien-12-ol]
SpectraBase Compound ID LXvFcQ188yn
InChI InChI=1S/C20H30O5/c1-13-5-6-16-19(4,23-16)8-7-15-14(13)11-18(15,3)20(22)10-9-17(2,12-21)24-25-20/h9-10,14-16,21-22H,1,5-8,11-12H2,2-4H3/t14-,15-,16-,17+,18-,19-,20+/m0/s1
InChIKey JLPHNZDKGQKJNB-ADVLRGOMSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wLpmmQ9iwo
Name Sinugibberoside C [(1S*,4S*,5S*,9R*,11S*,12S*,15R*)-4,5-epoxy-12,15-epidioxy-17-acetoxy-xeniaphylla-8(19),13,dien-12-ol]
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Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-13-5-6-16-19(4,23-16)8-7-15-14(13)11-18(15,3)20(22)10-9-17(2,12-21)24-25-20/h9-10,14-16,21-22H,1,5-8,11-12H2,2-4H3/t14-,15-,16-,17+,18-,19-,20+/m0/s1
InChIKey JLPHNZDKGQKJNB-ADVLRGOMSA-N
Molecular Weight 350.455 g/mol
SMILES OC[C@@]1(OO[C@@]([C@@]2([C@]3(CC[C@@]4(O[C@@]4([H])CCC([C@@]3(C2)[H])=C)C)[H])C)(C=C1)O)C
SPLASH splash10-002g-9500000000-20393c85bda7b2f918d0
Source of Spectrum F-62-6806-3
Wiley ID 1639795