| SpectraBase Compound ID | 4DpkTQSfGiI |
|---|---|
| InChI | InChI=1S/C29H36O10/c1-14(30)37-23-25(2,3)17(11-19(31)35-6)27(5)16-7-9-26(4)18(29(16)24(39-29)28(23,34)22(27)33)12-20(32)38-21(26)15-8-10-36-13-15/h8,10,13,16-18,21,23-24,34H,7,9,11-12H2,1-6H3/t16-,17+,18+,21?,23+,24-,26-,27-,28+,29?/m1/s1 |
| InChIKey | NMEMUNAMFPMDHM-ZQQMTDLLSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C29H36O10 |
| Exact Mass | 544.230847 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3B24uXl1ryx |
|---|---|
| Name | Ruagenin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O10 |
| InChI | InChI=1S/C29H36O10/c1-14(30)37-23-25(2,3)17(11-19(31)35-6)27(5)16-7-9-26(4)18(29(16)24(39-29)28(23,34)22(27)33)12-20(32)38-21(26)15-8-10-36-13-15/h8,10,13,16-18,21,23-24,34H,7,9,11-12H2,1-6H3/t16-,17+,18+,21?,23+,24-,26-,27-,28+,29?/m1/s1 |
| InChIKey | NMEMUNAMFPMDHM-ZQQMTDLLSA-N |
| Molecular Weight | 544.597 g/mol |
| SMILES | O[C@@]12[C@@]3(C4(O3)[C@@]([C@@](C1=O)([C@](C(C)(C)[C@@]2(OC(=O)C)[H])(CC(=O)OC)[H])C)(CC[C@@]1([C@@]4(CC(OC1c1cocc1)=O)[H])C)[H])[H] |
| SPLASH | splash10-0075-2920120000-07ca959166da558916e5 |
| Source of Spectrum | G4-59-546-5 |
| Wiley ID | 1606337 |