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Methyl (6R,8S,9R,10S,11R,14S)14-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3,4,13-trioxo-2,5-dioxa-12-azatetracyclo[14.2.2,1(6,9).1(8,11)]docosa-1(18),16,19-trien-10-oate
SpectraBase Compound ID 9dx6E0x0S6K
InChI InChI=1S/C36H34N2O9/c1-44-33(40)31-27-17-22-15-20(27)16-29(31)37-32(39)30(14-19-10-12-21(13-11-19)46-34(41)35(42)47-22)38-36(43)45-18-28-25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-13,20,22,27-31H,14-18H2,1H3,(H,37,39)(H,38,43)/t20-,22-,27-,29-,30+,31+/m1/s1
InChIKey RDNBVMGMFPQKSI-BBBIOUQYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C36H34N2O9
Exact Mass 638.226431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D95WY2071MF
Name Methyl (6R,8S,9R,10S,11R,14S)14-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3,4,13-trioxo-2,5-dioxa-12-azatetracyclo[14.2.2,1(6,9).1(8,11)]docosa-1(18),16,19-trien-10-oate
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Formula C36H34N2O9
InChI InChI=1S/C36H34N2O9/c1-44-33(40)31-27-17-22-15-20(27)16-29(31)37-32(39)30(14-19-10-12-21(13-11-19)46-34(41)35(42)47-22)38-36(43)45-18-28-25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-13,20,22,27-31H,14-18H2,1H3,(H,37,39)(H,38,43)/t20-,22-,27-,29-,30+,31+/m1/s1
InChIKey RDNBVMGMFPQKSI-BBBIOUQYSA-N
Molecular Weight 638.673 g/mol
SMILES N1C([C@@](NC(OCC2c3c(cccc3)-c3c2cccc3)=O)(Cc2ccc(OC(C(O[C@]3(C[C@]4([C@@]([C@]1(C[C@]4(C3)[H])[H])(C(=O)OC)[H])[H])[H])=O)=O)cc2)[H])=O
SPLASH splash10-059i-0980000000-917290d6c46fee2206b6
Source of Spectrum C5-2002-2094-6
Synonyms Methyl (6R,8S,9R,10S,11R,14S)-14-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3,4,13-trioxo-2,5-dioxa-12-azatetracyclo[14.2.2.1(6,9).1(8,11)]dicisa-1(18),16,19-trien-10-oate Methyl (6R,8S,9R,10S,11R,14S)-14-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,4,13-trioxo-2,5-dioxa-12-azatetracyclo[14.2.2.1(6,9).1(8,11)]docosa-1(18),16,19-triene-10-carboxylate
Wiley ID 1615118