| SpectraBase Compound ID | H8oNR24qFNG |
|---|---|
| InChI | InChI=1S/C31H40O9/c1-15(2)27(35)39-25-22-23(34)30(6,18(28(25,3)4)12-20(32)36-7)17-8-10-29(5)19(31(17)26(22)40-31)13-21(33)38-24(29)16-9-11-37-14-16/h9,11,14-15,17-19,22,24-26H,8,10,12-13H2,1-7H3/t17-,18+,19-,22?,24?,25-,26-,29-,30-,31?/m1/s1 |
| InChIKey | NRXNVWXPDDCBRT-TZPRLFKJSA-N |
| Mol Weight | 556.7 g/mol |
| Molecular Formula | C31H40O9 |
| Exact Mass | 556.267233 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 69N53hnnnFh |
|---|---|
| Name | Ruagenin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H40O9 |
| InChI | InChI=1S/C31H40O9/c1-15(2)27(35)39-25-22-23(34)30(6,18(28(25,3)4)12-20(32)36-7)17-8-10-29(5)19(31(17)26(22)40-31)13-21(33)38-24(29)16-9-11-37-14-16/h9,11,14-15,17-19,22,24-26H,8,10,12-13H2,1-7H3/t17-,18+,19-,22?,24?,25-,26-,29-,30-,31?/m1/s1 |
| InChIKey | NRXNVWXPDDCBRT-TZPRLFKJSA-N |
| Molecular Weight | 556.652 g/mol |
| SMILES | C123[C@](C4[C@@](OC(=O)C(C)C)(C([C@@]([C@@]([C@]3(CC[C@@]3([C@]1(CC(OC3c1cocc1)=O)[H])C)[H])(C4=O)C)(CC(=O)OC)[H])(C)C)[H])([H])O2 |
| SPLASH | splash10-05fr-0095220000-d506bdf5ace8f31b5c79 |
| Source of Spectrum | G4-59-546-3 |
| Wiley ID | 1606339 |