| SpectraBase Compound ID | 1LtXMmQr21K |
|---|---|
| InChI | InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17-,18-,19+,21-,22-/m0/s1 |
| InChIKey | GLACGTLACKLUJX-KKKRFNAPSA-N |
| Mol Weight | 466.44 g/mol |
| Molecular Formula | C22H26O11 |
| Exact Mass | 466.147512 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FpPneVXAKqC |
|---|---|
| Name | Buddlejoside A |
| Alternate Name(s) | 4-Hydroxybenzoic acid [(1S,4aR,5S,7aS)-5-hydroxy-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl ester [(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate [(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate [(1S,4aR,5S,7aS)-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-oxidanylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O11 |
| InChI | InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17-,18-,19+,21-,22-/m0/s1 |
| InChIKey | GLACGTLACKLUJX-KKKRFNAPSA-N |
| Molecular Weight | 466.439 g/mol |
| SMILES | O[C@@]1([C@]([C@](O[C@]2([C@@]3(C(COC(c4ccc(cc4)O)=O)=C[C@]([C@@]3(C=CO2)[H])(O)[H])[H])[H])(O[C@@]([C@@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-00di-5900000000-8f6cac7a5fc939f01e1f |
| Source of Spectrum | O1-63-1880-1 |
| Wiley ID | 1592808 |