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SCUTELATERIN-B;(11S,13S,16S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLEROD-14-ENE
SpectraBase Compound ID 84NDPbkNECT
InChI InChI=1S/C29H42O9/c1-7-16(2)25(32)37-21-12-22-27(6,23-11-20-8-9-33-26(20)38-23)17(3)10-24(36-19(5)31)29(22,15-34-18(4)30)28(13-21)14-35-28/h8-9,16-17,20-24,26H,7,10-15H2,1-6H3/t16?,17-,20+,21+,22-,23-,24+,26-,27+,28+,29+/m0/s1
InChIKey KELRNFSXNHLJGT-PYMSAROASA-N
Mol Weight 534.6 g/mol
Molecular Formula C29H42O9
Exact Mass 534.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0zH9A7U8nQ
Name SCUTELATERIN-B;(11S,13S,16S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLEROD-14-ENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O9
InChI InChI=1S/C29H42O9/c1-7-16(2)25(32)37-21-12-22-27(6,23-11-20-8-9-33-26(20)38-23)17(3)10-24(36-19(5)31)29(22,15-34-18(4)30)28(13-21)14-35-28/h8-9,16-17,20-24,26H,7,10-15H2,1-6H3/t16?,17-,20+,21+,22-,23-,24+,26-,27+,28+,29+/m0/s1
InChIKey KELRNFSXNHLJGT-PYMSAROASA-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 534.647 g/mol
Solvent CDCl3
Source File Reference UWMS1145