| SpectraBase Compound ID | JOyBbOy5Wi4 |
|---|---|
| InChI | InChI=1S/C21H38O7/c1-11-6-5-7-21(4)13(11)8-12(20(2,3)26)9-15(21)28-19-18(25)17(24)16(23)14(10-22)27-19/h11-19,22-26H,5-10H2,1-4H3/t11-,12+,13+,14-,15-,16-,17+,18-,19?,21+/m0/s1 |
| InChIKey | QQWNWPQBVJBCGL-XIPYDKPJSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C21H38O7 |
| Exact Mass | 402.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FUgstcWG0aZ |
|---|---|
| Name | Pterodontoside C |
| Alternate Name(s) | 9.beta.-(.beta.-D-Glucopyranosyloxy)-enantio-Eudesm-11-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H38O7 |
| InChI | InChI=1S/C21H38O7/c1-11-6-5-7-21(4)13(11)8-12(20(2,3)26)9-15(21)28-19-18(25)17(24)16(23)14(10-22)27-19/h11-19,22-26H,5-10H2,1-4H3/t11-,12+,13+,14-,15-,16-,17+,18-,19?,21+/m0/s1 |
| InChIKey | QQWNWPQBVJBCGL-XIPYDKPJSA-N |
| Molecular Weight | 402.528 g/mol |
| SMILES | O[C@]1([C@@](C(O[C@@]2([C@]3([C@](C[C@@](C(O)(C)C)(C2)[H])([C@](CCC3)(C)[H])[H])C)[H])O[C@]([C@@]1(O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-00l2-8910000000-268b542291e210aea083 |
| Source of Spectrum | G4-60-548-6 |
| Wiley ID | 1606737 |