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11-Hydroxyvittatine
SpectraBase Compound ID ANLpZANL4L4
InChI InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15+,16+/m1/s1
InChIKey KWAOMPWGIIXDPH-BWAGICSOSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xCBVunyQp9
Name 11-Hydroxyvittatine
Appearance Amorphous solid
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Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15+,16+/m1/s1
InChIKey KWAOMPWGIIXDPH-BWAGICSOSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np050126f
Molecular Weight 287.315 g/mol
Optical Rotation [a]D25 = +10.0 (c = 0.60, MeOH)
Reported Formula C16H17NO4
SMILES O[C@]1(C[C@@]2(N3Cc4cc5c(cc4[C@@]2([C@](C3)(O)[H])C=C1)OCO5)[H])[H]
SPLASH splash10-0abm-9220000000-5e5c41555b288b0f2118
Source of Spectrum G4-68-1591-7
Wiley ID 1881947