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PKDAPACDVZFLFV-BBOWGUKKSA-N
SpectraBase Compound ID 8Gr6f469FuF
InChI InChI=1S/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38-,39+,42+,43-,44-,45-,46-/m1/s1
InChIKey PKDAPACDVZFLFV-BBOWGUKKSA-N
Mol Weight 988.2 g/mol
Molecular Formula C48H81N3O18
Exact Mass 987.551513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLhVPHqRTFD
Name SAGITTAMIDE-A;NATURAL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H81N3O18
InChI InChI=1S/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38-,39+,42+,43-,44-,45-,46-/m1/s1
InChIKey PKDAPACDVZFLFV-BBOWGUKKSA-N
Literature Reference Author H.SEIKE,I.GHOSH,Y.KISHI
Literature Reference Citation ORG.LETTERS,8,3865(2006)
Literature Reference DOI 10.1021/ol061582d
Molecular Weight 988.180 g/mol
Sample ID 41052
Solvent CD3OD:TFA