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11-epi-Lythranidine
SpectraBase Compound ID 5EQhUWSAGKr
InChI InChI=1S/C26H35NO4/c1-31-26-12-8-18-6-10-22(29)16-20-4-2-3-19(27-20)15-21(28)9-5-17-7-11-25(30)23(13-17)24(26)14-18/h7-8,11-14,19-22,27-30H,2-6,9-10,15-16H2,1H3/t19-,20-,21-,22+/m1/s1
InChIKey IMHNVGKPQLKSHM-YSFYHYPLSA-N
Mol Weight 425.6 g/mol
Molecular Formula C26H35NO4
Exact Mass 425.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eOc2dcIR8j
Name 11-epi-Lythranidine
Alternate Name(s) (7(2)R,7(6)R,5S,9R)-2(6)-methoxy-7(2,6)-piperidina-1,2(1,3)-dibenzenacycloundecaphane-1(6),5,9-triol
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Formula C26H35NO4
InChI InChI=1S/C26H35NO4/c1-31-26-12-8-18-6-10-22(29)16-20-4-2-3-19(27-20)15-21(28)9-5-17-7-11-25(30)23(13-17)24(26)14-18/h7-8,11-14,19-22,27-30H,2-6,9-10,15-16H2,1H3/t19-,20-,21-,22+/m1/s1
InChIKey IMHNVGKPQLKSHM-YSFYHYPLSA-N
Literature Reference DOI 10.1002/anie.201402550
Molecular Weight 425.569 g/mol
SMILES O[C@@]1(C[C@]2(CCC[C@](C[C@@](CCc3ccc(c(-c4cc(CC1)ccc4OC)c3)O)(O)[H])(N2)[H])[H])[H]
SPLASH splash10-003r-9410200000-bb6788d64d70f05264e1
Source of Spectrum ACI-53-SMS-19-11_epi_1
Wiley ID 1782518