Stevioside
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,5R,9R,13R)-5,9-dimethyl-14-methylidene-13-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: Stevioside|Steviosin|CCRIS 6116|AC1L2841|EINECS 260-975-5|BRN 0077427|(4alpha)-beta-D-Glucopyranosyl 13-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)kaur-16-en-18-oate|1-O-{(5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-18-oxokaur-16-en-18-yl}-beta-D-glucopyranose|Kaur-16-en-18-oic acid, 13-((2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester
| Molecular Formula | C38H60O18 |
|---|---|
| Molecular Weight | 804.378 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 294.98 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 804.378 |
| Heavy Atoms | 56 |
| Complexity | 1448.7 |
Chemical Identifiers
| CAS Number | 57817-89-7 |
|---|---|
| SMILES | C[C@]12CCC[C@@](C1CC[C@@]34C2CC[C@@](C3)(C(=C)C4)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O |
Product Overview
Stevioside (CAS 57817-89-7), with molecular formula C38H60O18 and molecular weight 804.378 g/mol. IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,5R,9R,13R)-5,9-dimethyl-14-methylidene-13-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
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