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CASEARLUCIN-A;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6-HYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE

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CASEARLUCIN-A;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6-HYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE
SpectraBase Compound ID 60RMUb8dZ8o
InChI InChI=1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,14,17-18,21,23-24,26-27,32H,1,10,12-13,15H2,2-8H3/b16-11+/t17?,18-,21+,23?,24+,26+,27-,28-,29-/m0/s1
InChIKey FGGPIWICAGRSLN-SJJWQCHSSA-N
Mol Weight 518.6 g/mol
Molecular Formula C29H42O8
Exact Mass 518.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I87ewLkXx2j
Name CASEARLUCIN-A;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6-HYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O8
InChI InChI=1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,14,17-18,21,23-24,26-27,32H,1,10,12-13,15H2,2-8H3/b16-11+/t17?,18-,21+,23?,24+,26+,27-,28-,29-/m0/s1
InChIKey FGGPIWICAGRSLN-SJJWQCHSSA-N
Literature Reference Author C.V.S.PRAKASH,J.M.HOCH,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,65,100(2002)
Literature Reference DOI 10.1021/np010405c
Molecular Weight 518.648 g/mol
Solvent CDCl3
Source File Reference UWSI2693