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CASEAMEMBRIN_N;(2-S,5-R,6-R,7-S,8-S,9-S,10-R,18-S,19-R)-2-(N-BUTYRYLOXY)-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE

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CASEAMEMBRIN_N;(2-S,5-R,6-R,7-S,8-S,9-S,10-R,18-S,19-R)-2-(N-BUTYRYLOXY)-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
SpectraBase Compound ID Bps6lhkEQtb
InChI InChI=1S/C30H42O10/c1-9-11-24(34)39-21-14-22-27(37-19(6)32)40-28(38-20(7)33)30(22)23(15-21)29(8,13-12-16(3)10-2)17(4)25(26(30)35)36-18(5)31/h10,14,17,21,23,25-28,35H,2-3,9,11-13,15H2,1,4-8H3/t17-,21+,23+,25+,26+,27+,28-,29-,30-/m0/s1
InChIKey GFJLYOYUCCNCHS-PDUGWLJNSA-N
Mol Weight 562.7 g/mol
Molecular Formula C30H42O10
Exact Mass 562.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5TMbW0cwdN
Name CASEAMEMBRIN_N;(2-S,5-R,6-R,7-S,8-S,9-S,10-R,18-S,19-R)-2-(N-BUTYRYLOXY)-6-HYDROXY-7,18,19-TRI-O-ACETYL-18,19-EPOXYCLERODA-3,13-(16),14-TRIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O10
InChI InChI=1S/C30H42O10/c1-9-11-24(34)39-21-14-22-27(37-19(6)32)40-28(38-20(7)33)30(22)23(15-21)29(8,13-12-16(3)10-2)17(4)25(26(30)35)36-18(5)31/h10,14,17,21,23,25-28,35H,2-3,9,11-13,15H2,1,4-8H3/t17-,21+,23+,25+,26+,27+,28-,29-,30-/m0/s1
InChIKey GFJLYOYUCCNCHS-PDUGWLJNSA-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 562.657 g/mol
Solvent CDCl3
Source File Reference UWMZ13109