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CASEAMEMBrIN-C;REL-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6,7-DIHYDROXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13(16),14-

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CASEAMEMBrIN-C;REL-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6,7-DIHYDROXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13(16),14-
SpectraBase Compound ID EvO6kNmFQyG
InChI InChI=1S/C31H46O9/c1-9-11-24(33)39-28-22-15-21(38-25(34)14-17(3)4)16-23-30(8,13-12-18(5)10-2)19(6)26(35)27(36)31(22,23)29(40-28)37-20(7)32/h10,15,17,19,21,23,26-29,35-36H,2,5,9,11-14,16H2,1,3-4,6-8H3/t19-,21+,23+,26+,27+,28+,29-,30-,31-/m0/s1
InChIKey ILADURIOBQRARJ-ZUPJMJIJSA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H46O9
Exact Mass 562.314183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvRUojQEnvG
Name CASEAMEMBrIN-C;REL-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6,7-DIHYDROXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13(16),14-
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O9
InChI InChI=1S/C31H46O9/c1-9-11-24(33)39-28-22-15-21(38-25(34)14-17(3)4)16-23-30(8,13-12-18(5)10-2)19(6)26(35)27(36)31(22,23)29(40-28)37-20(7)32/h10,15,17,19,21,23,26-29,35-36H,2,5,9,11-14,16H2,1,3-4,6-8H3/t19-,21+,23+,26+,27+,28+,29-,30-,31-/m0/s1
InChIKey ILADURIOBQRARJ-ZUPJMJIJSA-N
Literature Reference Author Y.C.SHEN,C.H.WANG,Y.B.CHENG,L.T.WANG,J.H.GUH,C.T.CHIEN,A.T.K HALIL
Literature Reference Citation J.NAT.PROD.,67,316(2004)
Literature Reference DOI 10.1021/np0303658
Molecular Weight 562.701 g/mol
Solvent CDCl3
Source File Reference UWKP4057