SpectraBase Compound ID | LCZjOoaxmwb |
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InChI | InChI=1S/C41H63ClO8/c1-23(2)28-20-31(43)26(5)12-10-11-24(3)18-32(44)29-19-27(6)37-30(41(29,22-33(28)45)38(48)49-9)17-25(4)13-14-35(47)40(8)16-15-36(50-40)39(7,42)21-34(37)46/h17,23-24,26,28-30,34-36,46-47H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29+,30-,34-,35-,36-,39+,40+,41+/m1/s1 |
InChIKey | RPIADLQRFXRNHC-FTYROXNRSA-N |
Mol Weight | 719.4 g/mol |
Molecular Formula | C41H63ClO8 |
Exact Mass | 718.421147 g/mol |
SpectraBase Spectrum ID | B71Qjlpa9AO |
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Name | XIMAOLIDE_C |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C41H63ClO8 |
InChI | InChI=1S/C41H63ClO8/c1-23(2)28-20-31(43)26(5)12-10-11-24(3)18-32(44)29-19-27(6)37-30(41(29,22-33(28)45)38(48)49-9)17-25(4)13-14-35(47)40(8)16-15-36(50-40)39(7,42)21-34(37)46/h17,23-24,26,28-30,34-36,46-47H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29+,30-,34-,35-,36-,39+,40+,41+/m1/s1 |
InChIKey | RPIADLQRFXRNHC-FTYROXNRSA-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 | 719.399 g/mol |
Sample ID | 30630 |
Solvent | CDCl3 |