Aloenin
6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
Also Known As: Aloenin|Aloenin A|Aloearbonaside|Aloenin (Standard)|ALOENINA|MEGxp0_001070|ACon0_001054|ACon1_000758|HY-N0495R|ALOENIN (REFERENCE GRADE)|HY-N0495|8048AH|Aloenin, >=95% (LC/MS-ELSD)|3,5,5-trimethylcyclohexane-1,2-dione|NCGC00169388-01|SID:448284041|6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
| Molecular Formula | C19H22O10 |
|---|---|
| Molecular Weight | 410.1213 g/mol |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1213 |
| Monoisotopic Mass | 410.1213 |
| Heavy Atoms | 29 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 57693-77-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | KFJNVVJUICKJEQ-LQDZTQBFSA-N |
Product Overview
Aloenin (CAS 57693-77-3), with molecular formula C19H22O10 and molecular weight 410.1213 g/mol. IUPAC: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one.
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