| SpectraBase Compound ID | 1YRiDRq0hmf |
|---|---|
| InChI | InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,8-6-15(20)23)28-19-18(26)17(25)16(24)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 | KYNBODYQWKUALW-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 | 4LVx5YDpN9N |
|---|---|
| Name | Pterodontoside G |
| 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(4,8-6-15(20)23)28-19-18(26)17(25)16(24)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 | KYNBODYQWKUALW-ZXMWFYCUSA-N |
| Molecular Weight | 400.512 g/mol |
| SMILES | O[C@@]1([C@](C(O[C@]2(CC[C@@]([C@@]3([C@@]2(CC(CC3)=C(C)C)[H])C)(O)[H])C)O[C@@]([C@]1(O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0pbc-8940000000-dd2ee5ef1f7c2728ff2d |
| Source of Spectrum | G4-60-549-10 |
| Synonyms | 4.beta.-(.beta.-D-Glucopyranosyloxy)-enantio-Eudesm-7(11)-en-1.alpha.-ol |
| Wiley ID | 1606735 |