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CASEAMEMBRIN_M;(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2-(2-METHYLBUTYRYLOXY)-6-N-BUTYRYLOXY-18,19-DI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE

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CASEAMEMBRIN_M;(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2-(2-METHYLBUTYRYLOXY)-6-N-BUTYRYLOXY-18,19-DI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
SpectraBase Compound ID 2Bs55eAksG5
InChI InChI=1S/C33H48O9/c1-10-13-28(36)41-27-16-21(6)32(9,15-14-19(4)11-2)26-18-24(40-29(37)20(5)12-3)17-25-30(38-22(7)34)42-31(33(25,26)27)39-23(8)35/h11,17,20-21,24,26-27,30-31H,2,4,10,12-16,18H2,1,3,5-9H3/t20?,21-,24+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey AELPJSZDZHHLQC-JUVNTAARSA-N
Mol Weight 588.7 g/mol
Molecular Formula C33H48O9
Exact Mass 588.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcIx0xSxRtX
Name CASEAMEMBRIN_M;(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2-(2-METHYLBUTYRYLOXY)-6-N-BUTYRYLOXY-18,19-DI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H48O9
InChI InChI=1S/C33H48O9/c1-10-13-28(36)41-27-16-21(6)32(9,15-14-19(4)11-2)26-18-24(40-29(37)20(5)12-3)17-25-30(38-22(7)34)42-31(33(25,26)27)39-23(8)35/h11,17,20-21,24,26-27,30-31H,2,4,10,12-16,18H2,1,3,5-9H3/t20?,21-,24+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey AELPJSZDZHHLQC-JUVNTAARSA-N
Literature Reference Author Y.C.SHEN,Y.B.CHENG,A.F.AHMED,C.L.LEE,S.Y.CHEN,C.T.CHIEN,Y.H. KUO,G.L.TZENG
Literature Reference Citation J.NAT.PROD.,68,1665(2005)
Literature Reference DOI 10.1021/np058063o
Molecular Weight 588.739 g/mol
Solvent CDCl3
Source File Reference UWMZ13108