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3-Methoxy-18-methyl-13-[(E)-4'-methylpent-1'-enyl]-11-oxo-12,19,20-trioxatricylo[13.3.1.1(5,9)]icos-7-yl (Z)-5-{2'-[3"-[(methoxycarbonyl)amino]prop-1"-enyl]oxazol-4'-yl}pent-2-enoate
SpectraBase Compound ID LR3d2ZjlIDg
InChI InChI=1S/C38H56N2O10/c1-25(2)15-16-26(3)34-22-29-12-8-11-28(47-29)18-30(44-4)19-31-20-32(21-33(48-31)23-37(42)50-34)49-36(41)14-7-6-10-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7,9,13-14,16,24-25,28-34H,6,8,10-12,15,17-23H2,1-5H3,(H,39,43)/b13-9-,14-7-,26-16+/t28?,29?,30?,31?,32?,33?,34-/m1/s1
InChIKey GHTIGTDRDLKLEZ-UGPGXSJHSA-N
Mol Weight 700.9 g/mol
Molecular Formula C38H56N2O10
Exact Mass 700.393496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1riAuIvdyS4
Name 3-Methoxy-18-methyl-13-[(E)-4'-methylpent-1'-enyl]-11-oxo-12,19,20-trioxatricylo[13.3.1.1(5,9)]icos-7-yl (Z)-5-{2'-[3"-[(methoxycarbonyl)amino]prop-1"-enyl]oxazol-4'-yl}pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H56N2O10
InChI InChI=1S/C38H56N2O10/c1-25(2)15-16-26(3)34-22-29-12-8-11-28(47-29)18-30(44-4)19-31-20-32(21-33(48-31)23-37(42)50-34)49-36(41)14-7-6-10-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7,9,13-14,16,24-25,28-34H,6,8,10-12,15,17-23H2,1-5H3,(H,39,43)/b13-9-,14-7-,26-16+/t28?,29?,30?,31?,32?,33?,34-/m1/s1
InChIKey GHTIGTDRDLKLEZ-UGPGXSJHSA-N
Molecular Weight 700.870 g/mol
SMILES N(C(=O)OC)C\C=C/c1nc(co1)CC\C=C/C(OC1CC2CC(O[C@@](\C(=C\CC(C)C)C)(CC3OC(CC(CC(O2)C1)OC)CCC3)[H])=O)=O
SPLASH splash10-0006-9000000000-43282f8bf26191095d7d
Source of Spectrum H-79-58-1
Synonyms (13R)-13-[(1E)-1,4-dimethyl-1-pentenyl]-3-methoxy-11-oxo-12,19,20-trioxatricyclo[13.3.1.1(5,9)]icos-7-yl (2Z)-5-(2-{(1Z)-3-[(methoxycarbonyl)amino]-1-propenyl}-1,3-oxazol-4-yl)-2-pentenoate 3-Methoxy-18-methyl-13-[(E)-4'-methylpent-1'-enyl]-11-oxo-12,19,20-trioxatricylo[13.3.1.1(5,9)]icos-7-yl (Z)-5-{2'-[3''-[(methoxycarbonyl)amino]prop-1''-enyl]oxazol-4'-yl}pent-2-enoate
Wiley ID 1415043