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#SI-10;N-BENZYL-N-[(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-17-(5-METHYLTHIOPHENE-2-CARBONYL)-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-5-Y
SpectraBase Compound ID ExPUXCoIjE3
InChI InChI=1S/C38H47NO5S/c1-5-44-36(42)39(24-28-11-7-6-8-12-28)25-38(43)21-19-33-31-17-15-29(23-32(31)35(41)34-18-14-27(3)45-34)22-30(40)16-13-26(2)10-9-20-37(33,38)4/h6-8,10-12,14-15,17-18,23,30,33,40,43H,5,9,13,16,19-22,24-25H2,1-4H3/b26-10+/t30-,33-,37-,38+/m0/s1
InChIKey ZEBWBQKFSNVWPH-YKOUNURTSA-N
Mol Weight 629.9 g/mol
Molecular Formula C38H47NO5S
Exact Mass 629.317495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qc6bHn6kmh
Name #SI-10;N-BENZYL-N-[(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-17-(5-METHYLTHIOPHENE-2-CARBONYL)-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-5-Y
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H47NO5S
InChI InChI=1S/C38H47NO5S/c1-5-44-36(42)39(24-28-11-7-6-8-12-28)25-38(43)21-19-33-31-17-15-29(23-32(31)35(41)34-18-14-27(3)45-34)22-30(40)16-13-26(2)10-9-20-37(33,38)4/h6-8,10-12,14-15,17-18,23,30,33,40,43H,5,9,13,16,19-22,24-25H2,1-4H3/b26-10+/t30-,33-,37-,38+/m0/s1
InChIKey ZEBWBQKFSNVWPH-YKOUNURTSA-N
Literature Reference Author N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER
Literature Reference Citation ORG.LETTERS,7,2535(2005)
Literature Reference DOI 10.1021/ol0504345
Molecular Weight 629.855 g/mol
Sample ID 42969
Solvent CDCl3