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Stephasubine

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FsNw01stig
Name Stephasubine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1c2Oc3cc4[C@](N(C)CCc4cc3OC)(Cc3cc(Oc4ccc(Cc5c2c(ccn5)cc1OC)cc4)c(OC)cc3)[H]
SPLASH splash10-000f-0200090000-84a5346c9813ecb2ae67
Source of Spectrum X2-49-426-4
Wiley ID 1601922