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DISCODERMOLIDE-3,7-DIACETATE
SpectraBase Compound ID GKW9qyuioR7
InChI InChI=1S/C37H59NO10/c1-12-13-14-22(4)34(48-37(38)44)26(8)33(42)24(6)18-20(2)17-23(5)32(41)21(3)15-16-30(45-28(10)39)19-31-25(7)35(46-29(11)40)27(9)36(43)47-31/h12-17,21-27,30-35,41-42H,1,18-19H2,2-11H3,(H2,38,44)/b14-13-,16-15-,20-17-/t21-,22-,23-,24-,25-,26-,27+,30+,31-,32-,33+,34-,35-/m0/s1
InChIKey PSUHNFLVDDSAPE-RJYJTDBDSA-N
Mol Weight 677.9 g/mol
Molecular Formula C37H59NO10
Exact Mass 677.413897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IHObV52wwU
Name DISCODERMOLIDE-3,7-DIACETATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H59NO10
InChI InChI=1S/C37H59NO10/c1-12-13-14-22(4)34(48-37(38)44)26(8)33(42)24(6)18-20(2)17-23(5)32(41)21(3)15-16-30(45-28(10)39)19-31-25(7)35(46-29(11)40)27(9)36(43)47-31/h12-17,21-27,30-35,41-42H,1,18-19H2,2-11H3,(H2,38,44)/b14-13-,16-15-,20-17-/t21-,22-,23-,24-,25-,26-,27+,30+,31-,32-,33+,34-,35-/m0/s1
InChIKey PSUHNFLVDDSAPE-RJYJTDBDSA-N
Literature Reference Author S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER
Literature Reference Citation J.NAT.PROD.,64,171(2001)
Literature Reference DOI 10.1021/np000423e
Molecular Weight 677.876 g/mol
Solvent CDCl3
Source File Reference UWRU3810