| SpectraBase Compound ID | MiT2qKhcMx |
|---|---|
| InChI | InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,26)8-6-15(20)28-19-18(25)17(24)16(23)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3/t13-,14+,15+,16-,17+,18-,19?,20+,21+/m1/s1 |
| InChIKey | GXPDJVACSBSJGX-ZXMWFYCUSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C21H36O7 |
| Exact Mass | 400.246103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | hVMOTWdF6j |
|---|---|
| Name | Pterodontoside H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O7 |
| InChI | InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,26)8-6-15(20)28-19-18(25)17(24)16(23)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3/t13-,14+,15+,16-,17+,18-,19?,20+,21+/m1/s1 |
| InChIKey | GXPDJVACSBSJGX-ZXMWFYCUSA-N |
| Molecular Weight | 400.512 g/mol |
| SMILES | O[C@@]1([C@](C(O[C@]2(CC[C@@]([C@@]3([C@@]2(CCC(C3)=C(C)C)C)[H])(O)C)[H])O[C@@]([C@]1(O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0pi3-7930000000-3a6100831f7312adcb1f |
| Source of Spectrum | G4-60-549-11 |
| Synonyms | 1.alpha.-(.beta.-D-Glucopyranosyloxy)-enantio-Eudesm-7(11)-en-4.beta.-ol |
| Wiley ID | 1606734 |