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5-O-(4'-Methoxybenzyl)-3-O-methyl-4-oxosoraphen
SpectraBase Compound ID 2ctpscLLRDQ
InChI InChI=1S/C37H50O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-34H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,37+/m0/s1
InChIKey GKUOOPAEQWAGCS-DBMZHATASA-N
Mol Weight 638.8 g/mol
Molecular Formula C37H50O9
Exact Mass 638.345483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1o26eLNdN0q
Name 5-O-(4'-Methoxybenzyl)-3-O-methyl-4-oxosoraphen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H50O9
InChI InChI=1S/C37H50O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-34H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,37+/m0/s1
InChIKey GKUOOPAEQWAGCS-DBMZHATASA-N
Molecular Weight 638.798 g/mol
SMILES [C@]12(C([C@@](OCc3ccc(cc3)OC)([C@@]([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])(C)[H])[H])=O)OC
SPLASH splash10-00di-4900000000-b5d27ec9b3ced9f9bf44
Source of Spectrum U-1997-248-4
Synonyms (1S,2S,3E,5R,6S,11S,14S,15R,17S,18R)-5,6,15-trimethoxy-17-[(4-methoxyphenyl)methoxy]-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-ene-13,16-dione
Wiley ID 769362