| SpectraBase Compound ID | 53fy8CwXi6B |
|---|---|
| InChI | InChI=1S/C30H40O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,22-23,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,22-,23+,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | DYPIHYCSZZORMA-LKHJVCMQSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C30H40O8 |
| Exact Mass | 528.272318 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 65oIniNCvyE |
|---|---|
| Name | Applanoxidic acid G |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O8 |
| InChI | InChI=1S/C30H40O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,22-23,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,22-,23+,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | DYPIHYCSZZORMA-LKHJVCMQSA-N |
| Instrument Name | Agilent 6890N-5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0501886 |
| Molecular Weight | 528.642 g/mol |
| Reported Formula | C30H41O8 |
| SMILES | OC(C(CC(C[C@@](C=1[C@]2(C(C=C3[C@]4(CCC(C([C@@]4(C[C@@]4([C@@]3([C@@]2([C@](C1)(O)[H])C)O4)[H])[H])(C)C)=O)C)=O)C)(C)O)=O)C)=O |
| SPLASH | splash10-000b-0039200000-f624ceff858c78d30f43 |
| Source of Spectrum | G4-68-SM68-Applanoxidic acid G |
| Thin-Layer Chromatography | Rf = 0.21 |
| Wiley ID | 1884082 |