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9,10-DIEPI-26-DEOXYNEOBOUTOMELLERONE
SpectraBase Compound ID 8Ad0Ag5du3X
InChI InChI=1S/C34H48O6/c1-18(2)19(3)29(38)30(40-23(7)36)21(5)28-26(39-22(6)35)16-32(9)27-11-10-24-20(4)25(37)12-13-33(24)17-34(27,33)15-14-31(28,32)8/h12-13,18,20-21,24,26-28,30H,3,10-11,14-17H2,1-2,4-9H3/t20-,21-,24-,26-,27-,28-,30+,31+,32-,33-,34+/m0/s1
InChIKey PVMOACIZALDGDN-PGWPFQNMSA-N
Mol Weight 552.8 g/mol
Molecular Formula C34H48O6
Exact Mass 552.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InJGq0pUNIp
Name 9,10-DIEPI-26-DEOXYNEOBOUTOMELLERONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48O6
InChI InChI=1S/C34H48O6/c1-18(2)19(3)29(38)30(40-23(7)36)21(5)28-26(39-22(6)35)16-32(9)27-11-10-24-20(4)25(37)12-13-33(24)17-34(27,33)15-14-31(28,32)8/h12-13,18,20-21,24,26-28,30H,3,10-11,14-17H2,1-2,4-9H3/t20-,21-,24-,26-,27-,28-,30+,31+,32-,33-,34+/m0/s1
InChIKey PVMOACIZALDGDN-PGWPFQNMSA-N
Literature Reference Author C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA
Literature Reference Citation J.NAT.PROD.,75,34(2012)
Literature Reference DOI 10.1021/np200441h
Molecular Weight 552.752 g/mol
Sample ID 39730
Solvent CD3CN