| SpectraBase Compound ID | 2fLYkQMtp6r |
|---|---|
| InChI | InChI=1S/C22H32O9/c1-11-7-14-9-19(25)31-21(14)22(27-4)18(29-13(3)23)10-20(26)28-12(2)8-17-16(30-17)6-5-15(11)24/h5-6,11-12,14,16-19,21-22,25H,7-10H2,1-4H3/b6-5+/t11-,12-,14-,16+,17+,18-,19?,21+,22+/m1/s1 |
| InChIKey | CITIALMCWSNWFK-LTGRLTOQSA-N |
| Mol Weight | 440.5 g/mol |
| Molecular Formula | C22H32O9 |
| Exact Mass | 440.204633 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CRhCwrr7lmo |
|---|---|
| Name | Carbonolide A hemiacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O9 |
| InChI | InChI=1S/C22H32O9/c1-11-7-14-9-19(25)31-21(14)22(27-4)18(29-13(3)23)10-20(26)28-12(2)8-17-16(30-17)6-5-15(11)24/h5-6,11-12,14,16-19,21-22,25H,7-10H2,1-4H3/b6-5+/t11-,12-,14-,16+,17+,18-,19?,21+,22+/m1/s1 |
| InChIKey | CITIALMCWSNWFK-LTGRLTOQSA-N |
| Molecular Weight | 440.489 g/mol |
| SMILES | OC1C[C@@]2([C@](O1)([C@]([C@@](CC(O[C@@](C[C@@]1(O[C@]1(\C=C\C([C@@](C2)(C)[H])=O)[H])[H])(C)[H])=O)(OC(=O)C)[H])(OC)[H])[H])[H] |
| SPLASH | splash10-0aor-6590000000-22129d7de3ec12d79c51 |
| Source of Spectrum | E1-39-74-2 |
| Wiley ID | 1518612 |