John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1YjuEPus4ai SpectraBase Spectrum ID=1JXq1XzjaeV

(accessed ).
6,7-SECO-DISCODERMOLIDE
SpectraBase Compound ID 1YjuEPus4ai
InChI InChI=1S/C25H39NO5/c1-8-9-10-16(3)24(31-25(26)29)20(7)22(28)18(5)13-15(2)14-19(6)23-17(4)11-12-21(27)30-23/h8-12,14,16-20,22-24,28H,1,13H2,2-7H3,(H2,26,29)/b10-9+,15-14+/t16-,17-,18-,19-,20-,22+,23-,24-/m0/s1
InChIKey IWHUTUDZNNKLLU-ZOGOQPNWSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JXq1XzjaeV
Name 6,7-SECO-DISCODERMOLIDE
Compound Number 12
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-8-9-10-16(3)24(31-25(26)29)20(7)22(28)18(5)13-15(2)14-19(6)23-17(4)11-12-21(27)30-23/h8-12,14,16-20,22-24,28H,1,13H2,2-7H3,(H2,26,29)/b10-9+,15-14+/t16-,17-,18-,19-,20-,22+,23-,24-/m0/s1
InChIKey IWHUTUDZNNKLLU-ZOGOQPNWSA-N
Literature Reference Author S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER
Literature Reference Citation J.NAT.PROD.,65,1830(2002)
Literature Reference DOI 10.1021/np0203234
Molecular Weight 433.588 g/mol
Solvent CDCl3
Source File Reference UWSI16464
SpectraBase Batch ID GVmesoHUmIE