| SpectraBase Compound ID | 3JeSvt8nUoL |
|---|---|
| InChI | InChI=1S/C43H65ClO9/c1-24(2)30-21-33(46)27(5)13-11-12-25(3)19-34(47)31-20-28(6)39-32(43(31,22-35(30)48)40(49)51-10)18-26(4)14-15-38-42(9,53-38)17-16-37(44)41(8,50)23-36(39)52-29(7)45/h18,24-25,27,30-32,36-38,50H,11-17,19-23H2,1-10H3/b26-18+/t25-,27+,30-,31+,32-,36+,37-,38-,41-,42-,43+/m1/s1 |
| InChIKey | UJDYZEFLZNOVFQ-QRJXDLKCSA-N |
| Mol Weight | 761.4 g/mol |
| Molecular Formula | C43H65ClO9 |
| Exact Mass | 760.431711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBsc5hIawp9 |
|---|---|
| Name | 33-ACETYLXIMAOLIDE_B |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H65ClO9 |
| InChI | InChI=1S/C43H65ClO9/c1-24(2)30-21-33(46)27(5)13-11-12-25(3)19-34(47)31-20-28(6)39-32(43(31,22-35(30)48)40(49)51-10)18-26(4)14-15-38-42(9,53-38)17-16-37(44)41(8,50)23-36(39)52-29(7)45/h18,24-25,27,30-32,36-38,50H,11-17,19-23H2,1-10H3/b26-18+/t25-,27+,30-,31+,32-,36+,37-,38-,41-,42-,43+/m1/s1 |
| InChIKey | UJDYZEFLZNOVFQ-QRJXDLKCSA-N |
| Literature Reference Author | R.JIA,Y.W.GUO,P.CHEN,Y.M.FANG,E.MOLLO,M.GAVAGNIN,G.CIMINO |
| Literature Reference Citation | J.NAT.PROD.,70,1158(2007) |
| Literature Reference DOI | 10.1021/np060220b |
| Molecular Weight | 761.437 g/mol |
| Sample ID | 30628 |
| Solvent | CDCl3 |