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5-O-Methylyanangin
SpectraBase Compound ID GMWt1WgzkoZ
InChI InChI=1S/C37H38N2O6/c1-38-12-10-22-18-31-32-19-24(22)27(38)16-20-6-8-29(40)25(14-20)26-15-21(7-9-30(26)41-3)17-28-33-23(11-13-39(28)2)34(42-4)36(43-5)37(45-31)35(33)44-32/h6-9,14-15,18-19,27-28,40H,10-13,16-17H2,1-5H3/t27-,28?/m0/s1
InChIKey DRFKGEXJGBDLKF-MBMZGMDYSA-N
Mol Weight 606.7 g/mol
Molecular Formula C37H38N2O6
Exact Mass 606.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6s5vofDsVQ
Name 5-O-Methylyanangin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38N2O6
InChI InChI=1S/C37H38N2O6/c1-38-12-10-22-18-31-32-19-24(22)27(38)16-20-6-8-29(40)25(14-20)26-15-21(7-9-30(26)41-3)17-28-33-23(11-13-39(28)2)34(42-4)36(43-5)37(45-31)35(33)44-32/h6-9,14-15,18-19,27-28,40H,10-13,16-17H2,1-5H3/t27-,28?/m0/s1
InChIKey DRFKGEXJGBDLKF-MBMZGMDYSA-N
Molecular Weight 606.719 g/mol
SMILES Oc1c2-c3c(ccc(CC4c5c6c(c(c(c5CCN4C)OC)OC)Oc4c(O6)cc5c(c4)CCN([C@]5(Cc(cc1)c2)[H])C)c3)OC
SPLASH splash10-056r-0209004000-5d724f37ca4c04e2d14f
Source of Spectrum APC-319-849-3
Synonyms (4(12)S)-2(6),4(5),4(6)-trimethoxy-4(2),4(11)-dimethyl-4(1),4(2),4(3),4(4),4(9),4(10),4(11),4(12)-octahydro-4(1,12)-[1,4]dioxino[2,3-g:6,5-h']diisoquinolina-1,2(1,3)-dibenzenacyclopentaphan-1(6)-ol
Wiley ID 1788317