| SpectraBase Compound ID | A4EzZ4uTCgM |
|---|---|
| InChI | InChI=1S/C31H42O21/c1-12(32)40-9-20-23(43-15(4)35)26(45-17(6)37)30(49-20)52-28-24(44-16(5)36)21(10-41-13(2)33)50-31(28)51-25-22(11-42-14(3)34)48-29(47-19(8)39)27(25)46-18(7)38/h20-31H,9-11H2,1-8H3/t20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,30-,31+/m0/s1 |
| InChIKey | DVRPWQHVVJTQFK-GQKHWZTESA-N |
| Mol Weight | 750.7 g/mol |
| Molecular Formula | C31H42O21 |
| Exact Mass | 750.221858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmyR8SCOHU0 |
|---|---|
| Name | TRIBOSIDE_OCTAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O21 |
| InChI | InChI=1S/C31H42O21/c1-12(32)40-9-20-23(43-15(4)35)26(45-17(6)37)30(49-20)52-28-24(44-16(5)36)21(10-41-13(2)33)50-31(28)51-25-22(11-42-14(3)34)48-29(47-19(8)39)27(25)46-18(7)38/h20-31H,9-11H2,1-8H3/t20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,30-,31+/m0/s1 |
| InChIKey | DVRPWQHVVJTQFK-GQKHWZTESA-N |
| Literature Reference Author | S.POSPISIL,P.SEDMERA,P.HALADA,M.PETRICEK |
| Literature Reference Citation | J.NAT.PROD.,70,768(2007) |
| Literature Reference DOI | 10.1021/np0606188 |
| Molecular Weight | 750.662 g/mol |
| Sample ID | 30246 |
| Solvent | CDCl3 |