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CASEAMEMBRIN_O;(2-S,5-R,6-R,7-S,8-S,10-R,18-S,19-R)-2-[3-METHYLBUTYRYLOXY]-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE

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CASEAMEMBRIN_O;(2-S,5-R,6-R,7-S,8-S,10-R,18-S,19-R)-2-[3-METHYLBUTYRYLOXY]-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
SpectraBase Compound ID L2hf6gMAh6f
InChI InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10,14,16,18,22,24,26-29,36H,1,4,11-13,15H2,2-3,5-9H3/t18-,22+,24+,26+,27+,28+,29-,30-,31-/m0/s1
InChIKey MXZZEEMZKQYYNV-PCCLTOHNSA-N
Mol Weight 576.7 g/mol
Molecular Formula C31H44O10
Exact Mass 576.293448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyXzxLtfUkQ
Name CASEAMEMBRIN_O;(2-S,5-R,6-R,7-S,8-S,10-R,18-S,19-R)-2-[3-METHYLBUTYRYLOXY]-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O10
InChI InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10,14,16,18,22,24,26-29,36H,1,4,11-13,15H2,2-3,5-9H3/t18-,22+,24+,26+,27+,28+,29-,30-,31-/m0/s1
InChIKey MXZZEEMZKQYYNV-PCCLTOHNSA-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 576.684 g/mol
Solvent CDCl3
Source File Reference UWMZ13110