| SpectraBase Compound ID | E2fLKYtUD31 |
|---|---|
| InChI | InChI=1S/C21H38O7/c1-19(2,28-18-17(25)16(24)15(23)13(11-22)27-18)12-6-9-20(3)7-5-8-21(4,26)14(20)10-12/h12-18,22-26H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,17+,18?,20-,21-/m0/s1 |
| InChIKey | PIQFOZLNKMTTKG-YQSSEKNTSA-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 | GsF2ooDJY |
|---|---|
| Name | Pterodontoside D |
| Alternate Name(s) | 11.beta.-(.beta.-D-Glucopyranosyloxy)-enantio-Eudesm-4.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H38O7 |
| InChI | InChI=1S/C21H38O7/c1-19(2,28-18-17(25)16(24)15(23)13(11-22)27-18)12-6-9-20(3)7-5-8-21(4,26)14(20)10-12/h12-18,22-26H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,17+,18?,20-,21-/m0/s1 |
| InChIKey | PIQFOZLNKMTTKG-YQSSEKNTSA-N |
| Molecular Weight | 402.528 g/mol |
| SMILES | O[C@@]1([C@](C(OC([C@@]2(C[C@@]3([C@](CCC[C@]3(CC2)C)(O)C)[H])[H])(C)C)O[C@@]([C@]1(O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-05mk-9600000000-f2ecaeb25aa2b7459afe |
| Source of Spectrum | G4-60-548-7 |
| Wiley ID | 1606736 |