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21-DESETHYL-21-(CYCLOBUTYL)-SPINOSYN_A
SpectraBase Compound ID 5zSffRHAzi5
InChI InChI=1S/C43H67NO10/c1-23-35(54-38-18-17-34(44(4)5)24(2)50-38)13-10-14-36(26-11-9-12-26)53-37(45)22-32-29-16-15-27-19-28(20-30(27)31(29)21-33(32)39(23)46)52-43-42(49-8)41(48-7)40(47-6)25(3)51-43/h15-16,21,23-32,34-36,38,40-43H,9-14,17-20,22H2,1-8H3/t23-,24+,25-,27+,28+,29+,30+,31+,32-,34-,35-,36+,38-,40-,41+,42+,43-/m0/s1
InChIKey JVSSEPCZCIYXHQ-ZMJDQOCASA-N
Mol Weight 758.0 g/mol
Molecular Formula C43H67NO10
Exact Mass 757.476497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2nCbhQE4Ox
Name 21-DESETHYL-21-(CYCLOBUTYL)-SPINOSYN_A
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H67NO10
InChI InChI=1S/C43H67NO10/c1-23-35(54-38-18-17-34(44(4)5)24(2)50-38)13-10-14-36(26-11-9-12-26)53-37(45)22-32-29-16-15-27-19-28(20-30(27)31(29)21-33(32)39(23)46)52-43-42(49-8)41(48-7)40(47-6)25(3)51-43/h15-16,21,23-32,34-36,38,40-43H,9-14,17-20,22H2,1-8H3/t23-,24+,25-,27+,28+,29+,30+,31+,32-,34-,35-,36+,38-,40-,41+,42+,43-/m0/s1
InChIKey JVSSEPCZCIYXHQ-ZMJDQOCASA-N
Literature Reference Author L.S.SHEEHAN,R.E.LILL,B.WILKINSON,R.M.SHERIDAN,W.A.VOUSDEN,A. L.KAJA,G.D.CROUSE,J.
Literature Reference Citation J.NAT.PROD.,69,1702(2006)
Literature Reference DOI 10.1021/np0602517
Molecular Weight 758.006 g/mol
Solvent CDCl3
Source File Reference UWMZ17583