Atractyloside A
Request a quote| Catalog Number | ACM126054771 |
| CAS | 126054-77-1 |
| IUPAC Name | (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one |
| Synonyms | 2-[(3S,3aR,5R,8R,8aS)-3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2- oxodecahydro-5-azulenyl]-2-propanyl β-D-glucopyranoside |
| Molecular Weight | 448.51 |
| Molecular Formula | C21H36O10 |
| Canonical SMILES | C[C@@]1([C@@H]2C[C@@H](CC[C@@]([C@H]2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Inchi | InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1 |
| InChIKey | QNBLVYVBWDIWDM-BSLJOXIBSA-N |
| Boiling Point | 684.8±55.0 °C |
| Melting Point | 224-226 °C |
| Purity | 98% |
| Density | 1.42 g/ml |
| Appearance | Powder |
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