Elephantin
[(1S,3S,5R,6S,10R,11R)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate
Also Known As: Elephantin|(methyl-methylene-dioxo-[?]yl) 3-methylbut-2-enoate|2-Butenoic acid, 3-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester|2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro(2,3-f)oxireno(d)oxacycloundecin-8-yl ester, (1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*))-
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.13657 g/mol |
| LogP | 1.77 |
| Topological Polar Surface Area | 91.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 803.1 |
Chemical Identifiers
| CAS Number | 21899-50-3 |
|---|---|
| SMILES | CC(=CC(=O)O[C@@H]1CC2=C[C@H](C[C@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C |
Product Overview
Elephantin (CAS 21899-50-3), with molecular formula C20H22O7 and molecular weight 374.13657 g/mol. IUPAC: [(1S,3S,5R,6S,10R,11R)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate.
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