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Obamegine

View entire compound with spectra: 1 MS (GC)

Obamegine
SpectraBase Compound ID 6W1ClswHOe5
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
InChIKey XGEAUXVPBXUBKN-WUFINQPMSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTARxK1RGcq
Name Obamegine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
InChIKey XGEAUXVPBXUBKN-WUFINQPMSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1c(cc2CCN([C@]3(c2c1Oc1cc2[C@](Cc4ccc(Oc5cc(ccc5O)C3)cc4)(N(CCc2cc1OC)C)[H])[H])C)OC
SPLASH splash10-0a4i-9003010000-837be3860433c230794b
Source of Spectrum X2-44-65-3
Synonyms 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol 6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol
Wiley ID 1600859