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(11S,13S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLERODAN-15-ONE
SpectraBase Compound ID 4tM8P1wOKNd
InChI InChI=1S/C29H42O10/c1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h15-16,19-23,26H,7-14H2,1-6H3/t15?,16-,19-,20+,21-,22-,23+,26+,27+,28+,29+/m0/s1
InChIKey MQPUQXNNWKFZNE-UJNRRBNESA-N
Mol Weight 550.6 g/mol
Molecular Formula C29H42O10
Exact Mass 550.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PlLFgwovtx
Name (11S,13S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLERODAN-15-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O10
InChI InChI=1S/C29H42O10/c1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h15-16,19-23,26H,7-14H2,1-6H3/t15?,16-,19-,20+,21-,22-,23+,26+,27+,28+,29+/m0/s1
InChIKey MQPUQXNNWKFZNE-UJNRRBNESA-N
Literature Reference Author M.BRUNO,M.CRUCIATA,M.L.BONDI,F.PIOZZI,M.C.D.L.TORRE,B.RODRIG UEZ,O.SERVETTAZ
Literature Reference Citation PHYTOCHEM.,48,687(1998)
Literature Reference DOI 10.1016/S0031-9422(97)01032-7
Molecular Weight 550.646 g/mol
Solvent CDCl3
Source File Reference UWMS1147