| SpectraBase Compound ID | GVMQaYUZfyM |
|---|---|
| InChI | InChI=1S/C44H72O16/c1-21-11-27(21)33-15-25-13-29(59-43-41(51-9)39(49-7)35(47-5)19-53-43)23(3)32(55-25)18-38(46)58-34(28-12-22(28)2)16-26-14-30(24(4)31(56-26)17-37(45)57-33)60-44-42(52-10)40(50-8)36(48-6)20-54-44/h21-36,39-44H,11-20H2,1-10H3/t21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | CTMDQMUAHLSXCW-GMJYCCEUSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C44H72O16 |
| Exact Mass | 856.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXtXOAdJXyf |
|---|---|
| Name | CLAVOSOLIDE-A;ISOLATED-COMPOUND |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O16 |
| InChI | InChI=1S/C44H72O16/c1-21-11-27(21)33-15-25-13-29(59-43-41(51-9)39(49-7)35(47-5)19-53-43)23(3)32(55-25)18-38(46)58-34(28-12-22(28)2)16-26-14-30(24(4)31(56-26)17-37(45)57-33)60-44-42(52-10)40(50-8)36(48-6)20-54-44/h21-36,39-44H,11-20H2,1-10H3/t21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | CTMDQMUAHLSXCW-GMJYCCEUSA-N |
| Literature Reference Author | J.B.SON,S.N.KIM,N.Y.KIM,D.H.LEE |
| Literature Reference Citation | ORG.LETTERS,8,661(2006) |
| Literature Reference DOI | 10.1021/ol052851n |
| Molecular Weight | 857.046 g/mol |
| Sample ID | 39909 |
| Solvent | CDCl3 |