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Premyrsinol-3-propanoate-5,17-di-isobutyrate - 7,13-Diacetate

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Premyrsinol-3-propanoate-5,17-di-isobutyrate - 7,13-Diacetate
SpectraBase Compound ID 9VSfZ4iNLUk
InChI InChI=1S/C35H52O12/c1-12-23(38)45-26-18(6)14-35(42)25(26)28(46-30(40)17(4)5)34(15-43-29(39)16(2)3)22(44-19(7)36)13-21-24(32(21,9)10)27(34)33(11,31(35)41)47-20(8)37/h16-18,21-22,24-28,42H,12-15H2,1-11H3/t18-,21-,22+,24-,25+,26-,27-,28+,33-,34+,35+/m0/s1
InChIKey AUUNRGGLHLXZFP-CEWXVSSVSA-N
Mol Weight 664.8 g/mol
Molecular Formula C35H52O12
Exact Mass 664.345877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuRW1Z4wGoe
Name PREMYRSINOL-3-PROPANOATE-5,17-DIISOBUTYRATE-7,13-DIACETATE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O12
InChI InChI=1S/C35H52O12/c1-12-23(38)45-26-18(6)14-35(42)25(26)28(46-30(40)17(4)5)34(15-43-29(39)16(2)3)22(44-19(7)36)13-21-24(32(21,9)10)27(34)33(11,31(35)41)47-20(8)37/h16-18,21-22,24-28,42H,12-15H2,1-11H3/t18-,21-,22+,24-,25+,26-,27-,28+,33-,34+,35+/m0/s1
InChIKey AUUNRGGLHLXZFP-CEWXVSSVSA-N
Literature Reference Author G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO
Literature Reference Citation J.NAT.PROD.,62,1399(1999)
Literature Reference DOI 10.1021/np990209u
Molecular Weight 664.791 g/mol
Solvent CDCl3
Source File Reference UWCS20809