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(17R)-17-(t-Butyl)-17-desphenyl-5-O-(4'-methoxybenzyl)-3-O-methylsoraphen
SpectraBase Compound ID Ibxzv5jmLLB
InChI InChI=1S/C36H58O9/c1-23-16-21-29(40-9)28(39-8)14-12-13-15-30(35(4,5)6)44-34(37)25(3)36(42-11)33(41-10)32(24(2)31(23)45-36)43-22-26-17-19-27(38-7)20-18-26/h16-21,23-25,28-33H,12-15,22H2,1-11H3/b21-16+/t23-,24+,25+,28-,29+,30+,31-,32-,33+,36+/m0/s1
InChIKey SDVFJGYJAKPZAQ-SCHGQGCNSA-N
Mol Weight 634.9 g/mol
Molecular Formula C36H58O9
Exact Mass 634.408083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ppqShhCnHw
Name (17R)-17-(t-Butyl)-17-desphenyl-5-O-(4'-methoxybenzyl)-3-O-methylsoraphen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H58O9
InChI InChI=1S/C36H58O9/c1-23-16-21-29(40-9)28(39-8)14-12-13-15-30(35(4,5)6)44-34(37)25(3)36(42-11)33(41-10)32(24(2)31(23)45-36)43-22-26-17-19-27(38-7)20-18-26/h16-21,23-25,28-33H,12-15,22H2,1-11H3/b21-16+/t23-,24+,25+,28-,29+,30+,31-,32-,33+,36+/m0/s1
InChIKey SDVFJGYJAKPZAQ-SCHGQGCNSA-N
Molecular Weight 634.851 g/mol
SMILES [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@@](OC([C@]1(C)[H])=O)(C(C)(C)C)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(OC)cc1)[H])(OC)[H])OC
SPLASH splash10-00di-0900000000-1fbb3a62380b8740da42
Source of Spectrum U-1995-813-20
Wiley ID 766747