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REL-18(S),19(R)-DIACETOXY-18,19-EPOXY-6(R)-HYDROXY-2(S)-(3-XI-HYDROXYOCTANOYLOXY)-5(R),8(S),9(S),10(R)-ClERODA-3,13(16),14-TRIENE
SpectraBase Compound ID EZNI2pB6vdL
InChI InChI=1S/C32H48O9/c1-8-10-11-12-23(35)16-28(37)40-24-17-25-29(38-21(5)33)41-30(39-22(6)34)32(25)26(18-24)31(7,14-13-19(3)9-2)20(4)15-27(32)36/h9,17,20,23-24,26-27,29-30,35-36H,2-3,8,10-16,18H2,1,4-7H3/t20-,23-,24+,26+,27+,29+,30-,31-,32-/m0/s1
InChIKey FCYBOZFXOABHSQ-AGDJEOQQSA-N
Mol Weight 576.7 g/mol
Molecular Formula C32H48O9
Exact Mass 576.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPLX4QnPyFp
Name REL-18(S),19(R)-DIACETOXY-18,19-EPOXY-6(R)-HYDROXY-2(S)-(3-XI-HYDROXYOCTANOYLOXY)-5(R),8(S),9(S),10(R)-ClERODA-3,13(16),14-TRIENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H48O9
InChI InChI=1S/C32H48O9/c1-8-10-11-12-23(35)16-28(37)40-24-17-25-29(38-21(5)33)41-30(39-22(6)34)32(25)26(18-24)31(7,14-13-19(3)9-2)20(4)15-27(32)36/h9,17,20,23-24,26-27,29-30,35-36H,2-3,8,10-16,18H2,1,4-7H3/t20-,23-,24+,26+,27+,29+,30-,31-,32-/m0/s1
InChIKey FCYBOZFXOABHSQ-AGDJEOQQSA-N
Literature Reference Author S.GIBBONS,A.I.GRAY,P.G.WATERMAN
Literature Reference Citation PHYTOCHEM.,41,565(1996)
Literature Reference DOI 10.1016/0031-9422(95)00623-0
Molecular Weight 576.728 g/mol
Solvent CDCl3
Source File Reference UWLU3965