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(3S,6S,7S,14E)-10-benzylidene-6-hydroxy-3-isobutyl-8-(4-methoxyphenyl)-7-phenyl-1,12-dioxa-4,8-diazacyclohexadec-14-ene-2,5,11-trione

View entire compound with spectra: 1 MS (GC)

(3S,6S,7S,14E)-10-benzylidene-6-hydroxy-3-isobutyl-8-(4-methoxyphenyl)-7-phenyl-1,12-dioxa-4,8-diazacyclohexadec-14-ene-2,5,11-trione
SpectraBase Compound ID 96SEgxww0Ss
InChI InChI=1S/C36H40N2O7/c1-25(2)22-31-36(42)45-21-11-10-20-44-35(41)28(23-26-12-6-4-7-13-26)24-38(29-16-18-30(43-3)19-17-29)32(33(39)34(40)37-31)27-14-8-5-9-15-27/h4-19,23,25,31-33,39H,20-22,24H2,1-3H3,(H,37,40)/b11-10+,28-23?/t31-,32-,33-/m0/s1
InChIKey DMDYIHUTUXBPJW-FFLFBKCXSA-N
Mol Weight 612.7 g/mol
Molecular Formula C36H40N2O7
Exact Mass 612.283552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrAdqK0YOZC
Name (3S,6S,7S,14E)-10-benzylidene-6-hydroxy-3-isobutyl-8-(4-methoxyphenyl)-7-phenyl-1,12-dioxa-4,8-diazacyclohexadec-14-ene-2,5,11-trione
Appearance Gum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.283551629 u
Formula C36H40N2O7
InChI InChI=1S/C36H40N2O7/c1-25(2)22-31-36(42)45-21-11-10-20-44-35(41)28(23-26-12-6-4-7-13-26)24-38(29-16-18-30(43-3)19-17-29)32(33(39)34(40)37-31)27-14-8-5-9-15-27/h4-19,23,25,31-33,39H,20-22,24H2,1-3H3,(H,37,40)/b11-10+,28-23?/t31-,32-,33-/m0/s1
InChIKey DMDYIHUTUXBPJW-FFLFBKCXSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.803
Molecular Weight 612.723 g/mol
SMILES O[C@@]1(C(=O)N[C@](C(OC\C=C\COC(C(CN([C@]1(C1=CC=CC=C1)[H])C1=CC=C(C=C1)OC)=CC1=CC=CC=C1)=O)=O)(CC(C)C)[H])[H]
SPLASH splash10-03di-0040229000-9e05b8ad8d93197df740
Source of Spectrum ARK-2001-26-trans 4a (DOI: 10.3998/ark.5550190.0002.803)
Wiley ID 1908857