Enhydrin
methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
Also Known As: Enhydrin|SID:135653866|Methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate|7.Xi.,10.xi.-Germacra-3,11(13)-diene-12,15-dioic acid, 9,10-epoxy-5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2,3-epoxy-2-methylbutyrate|Methyl (1aR,4E,6S,7S,7aR,10aS,10bR)-6-(acetyloxy)-7-{[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy}-1a-methyl-8-methylidene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate|methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-10-((2S,3S)-2,3-dimethyloxirane-2-carbonyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-ene-8-carboxylate|Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-7-[[(2,3-dimethyloxiranyl)carbonyl]oxy]-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-9-oxo-, methyl ester, [1aR-[1aR*,4E,6S*,7S*(2R*,3R*),7aR*,10aS*,10bR*]]-
| Molecular Formula | C23H28O10 |
|---|---|
| Molecular Weight | 464.16824 g/mol |
| LogP | 1.1558 |
| Topological Polar Surface Area | 130.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.16824 |
| Monoisotopic Mass | 464.16824 |
| Heavy Atoms | 33 |
| Complexity | 952.8888 |
Chemical Identifiers
| CAS Number | 33880-85-2 |
|---|---|
| SMILES | C[C@@H]1[C@](O1)(C)C(=O)O[C@H]2[C@@H]3[C@@H]([C@@H]4[C@](O4)(CC/C=C(\[C@@H]2OC(=O)C)/C(=O)OC)C)OC(=O)C3=C |
Product Overview
Enhydrin (CAS 33880-85-2), with molecular formula C23H28O10 and molecular weight 464.16824 g/mol. IUPAC: methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate.