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BITUNGOLIDE-C

View entire compound with spectra: 1 NMR

BITUNGOLIDE-C
SpectraBase Compound ID 9XJMGYzLaFy
InChI InChI=1S/C25H33ClO5/c1-4-18-12-13-23(30)31-25(18)17(3)14-16(2)22(29)15-20(27)10-6-5-8-19-9-7-11-21(28)24(19)26/h5-13,16-18,20,22,25,27-29H,4,14-15H2,1-3H3/b8-5+,10-6-/t16-,17-,18-,20-,22+,25-/m1/s1
InChIKey PYYRNYVESSAKJY-LBGQEUFOSA-N
Mol Weight 449.0 g/mol
Molecular Formula C25H33ClO5
Exact Mass 448.201652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMHncRTdlSh
Name BITUNGOLIDE-C
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33ClO5
InChI InChI=1S/C25H33ClO5/c1-4-18-12-13-23(30)31-25(18)17(3)14-16(2)22(29)15-20(27)10-6-5-8-19-9-7-11-21(28)24(19)26/h5-13,16-18,20,22,25,27-29H,4,14-15H2,1-3H3/b8-5+,10-6-/t16-,17-,18-,20-,22+,25-/m1/s1
InChIKey PYYRNYVESSAKJY-LBGQEUFOSA-N
Literature Reference Author S.SIRIRATH,J.TANAKA,I.I.OHTANI,T.ICHIBA,R.RACHMAT,K.UEDA,T.U SUI,H.OSADA,T.HIGA
Literature Reference Citation J.NAT.PROD.,65,1820(2002)
Literature Reference DOI 10.1021/np0200865
Molecular Weight 448.987 g/mol
Solvent CDCl3
Source File Reference UWSI16448