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17-Desphenyl-5-O-(4'-methoxybenzyl)-3-O-methylsoraphen
SpectraBase Compound ID GQpI426829h
InChI InChI=1S/C32H50O9/c1-21-13-18-27(36-6)26(35-5)12-10-9-11-19-39-31(33)23(3)32(38-8)30(37-7)29(22(2)28(21)41-32)40-20-24-14-16-25(34-4)17-15-24/h13-18,21-23,26-30H,9-12,19-20H2,1-8H3/b18-13+/t21-,22+,23+,26-,27+,28-,29-,30+,32+/m0/s1
InChIKey UBBBHKGEVUHMRQ-XCMTYPJBSA-N
Mol Weight 578.7 g/mol
Molecular Formula C32H50O9
Exact Mass 578.345483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCkaE6s9fR5
Name 17-Desphenyl-5-O-(4'-methoxybenzyl)-3-O-methylsoraphen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O9
InChI InChI=1S/C32H50O9/c1-21-13-18-27(36-6)26(35-5)12-10-9-11-19-39-31(33)23(3)32(38-8)30(37-7)29(22(2)28(21)41-32)40-20-24-14-16-25(34-4)17-15-24/h13-18,21-23,26-30H,9-12,19-20H2,1-8H3/b18-13+/t21-,22+,23+,26-,27+,28-,29-,30+,32+/m0/s1
InChIKey UBBBHKGEVUHMRQ-XCMTYPJBSA-N
Molecular Weight 578.743 g/mol
SMILES [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCCCOC([C@]1(C)[H])=O)[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])OC
SPLASH splash10-00di-0900000000-15dbc32f225bcd4524f8
Source of Spectrum U-1995-812-20
Wiley ID 766748