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6,15-Dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylic acid, 3,12-dimethoxy-9,18-dioxo-, bis(phenylmethyl) ester, (2E,7R*,11E,16R*)-(.+-.)-
SpectraBase Compound ID JekQb7xgdc8
InChI InChI=1S/C32H34N2O10/c1-39-23-13-15-41-28-18-26(36)34(28)30(32(38)44-20-22-11-7-4-8-12-22)24(40-2)14-16-42-27-17-25(35)33(27)29(23)31(37)43-19-21-9-5-3-6-10-21/h3-12,27-28H,13-20H2,1-2H3/b29-23+,30-24+/t27-,28-/m1/s1
InChIKey JSFWYIPHCSOIER-SLLYORDOSA-N
Mol Weight 606.6 g/mol
Molecular Formula C32H34N2O10
Exact Mass 606.221345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlDpt1MekH9
Name 6,15-Dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylic acid, 3,12-dimethoxy-9,18-dioxo-, bis(phenylmethyl) ester, (2E,7R*,11E,16R*)-(.+-.)-
CAS Registry Number 85784-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H34N2O10
InChI InChI=1S/C32H34N2O10/c1-39-23-13-15-41-28-18-26(36)34(28)30(32(38)44-20-22-11-7-4-8-12-22)24(40-2)14-16-42-27-17-25(35)33(27)29(23)31(37)43-19-21-9-5-3-6-10-21/h3-12,27-28H,13-20H2,1-2H3/b29-23+,30-24+/t27-,28-/m1/s1
InChIKey JSFWYIPHCSOIER-SLLYORDOSA-N
Molecular Weight 606.628 g/mol
SMILES C(\C=1N2[C@](OCC\C(=C\(N3C(C[C@]3(OCCC\1OC)[H])=O)C(OCc1ccccc1)=O)OC)(CC2=O)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9020000000-7c1f83e151b823962aca
Source of Spectrum KC-1983-117-0
Synonyms dibenzyl (7R,16R)-3,12-dimethoxy-9,18-dioxo-6,15-dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylate Dibenzyl (7RS,16RS)-3,12-dimethoxy-9,18-dioxo-6,15-dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylate
Wiley ID 1410594