| SpectraBase Compound ID | 973xbREYOys |
|---|---|
| InChI | InChI=1S/C38H40O9/c1-23-21-22-28(44-33(40)25-15-9-6-10-16-25)37(5)32(46-35(42)27-19-13-8-14-20-27)30(45-34(41)26-17-11-7-12-18-26)29-31(43-24(2)39)38(23,37)47-36(29,3)4/h6-20,23,28-32H,21-22H2,1-5H3/t23-,28?,29-,30?,31?,32?,37+,38-/m1/s1 |
| InChIKey | DNJAELNMUOPDRL-GGKYTNDQSA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C38H40O9 |
| Exact Mass | 640.267233 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I5OfLnH2ih6 |
|---|---|
| Name | 6.alpha.-Acetoxy-1.beta.,8.beta.,9.beta.-tris(benzoyloxy)-.beta.-dihydroagarufuran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H40O9 |
| InChI | InChI=1S/C38H40O9/c1-23-21-22-28(44-33(40)25-15-9-6-10-16-25)37(5)32(46-35(42)27-19-13-8-14-20-27)30(45-34(41)26-17-11-7-12-18-26)29-31(43-24(2)39)38(23,37)47-36(29,3)4/h6-20,23,28-32H,21-22H2,1-5H3/t23-,28?,29-,30?,31?,32?,37+,38-/m1/s1 |
| InChIKey | DNJAELNMUOPDRL-GGKYTNDQSA-N |
| Molecular Weight | 640.729 g/mol |
| SMILES | [C@@]12([C@]3(C(OC(=O)C)[C@@](C(C2OC(=O)c2ccccc2)OC(=O)c2ccccc2)(C(O3)(C)C)[H])[C@](C)(CCC1OC(=O)c1ccccc1)[H])C |
| SPLASH | splash10-0a6u-6900121000-79f32d527d8f7f33baf8 |
| Source of Spectrum | X2-56-129-1 |
| Wiley ID | 1604735 |