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Stephasubine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Stephasubine
SpectraBase Compound ID EC0P9BZ66Lh
InChI InChI=1S/C36H34N2O6/c1-38-14-12-23-18-30(41-3)32-20-26(23)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(42-4)35(39)36(34)44-32/h5-11,13,17-20,28,39H,12,14-16H2,1-4H3/t28-/m1/s1
InChIKey NEYGQYOOZBPYMQ-MUUNZHRXSA-N
Mol Weight 590.7 g/mol
Molecular Formula C36H34N2O6
Exact Mass 590.241687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EM9FXRjEp3G
Name Stephasubine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.241686817 u
Formula C36H34N2O6
InChI InChI=1S/C36H34N2O6/c1-38-14-12-23-18-30(41-3)32-20-26(23)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(42-4)35(39)36(34)44-32/h5-11,13,17-20,28,39H,12,14-16H2,1-4H3/t28-/m1/s1
InChIKey NEYGQYOOZBPYMQ-MUUNZHRXSA-N
Molecular Weight 590.676 g/mol
SMILES C1=2OC3=CC=4[C@](N(C)CCC4C=C3OC)(CC=3C=C(OC=4C=CC(CC=5C2C(C=CN5)=CC(=C1O)OC)=CC4)C(OC)=CC3)[H]