Account (4S,4aS,5R,7R,10S,11R,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate
- Catalog No. :
- ACCEZD186
- CAS No. :
- 677277-98-4
- Molecular Formula :
- C46H54O13
- Molecular Weight :
- 814.92
IUPAC Name:(4S,4aS,5R,7R,10S,11R,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate
![(4S,4aS,5R,7R,10S,11R,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4S,4aS,5R,7R,10S,11R,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate |
|---|---|
| IUPAC Name | (4S,4aS,5R,7R,10S,11R,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate |
| MDL No. | MFCD20260936 |
| Molecular Formula | C46H54O13 |
| Molecular Weight | 814.92 |
| SMILES | C[C@H]1[C@@H]2CC[C@@H]1[C@H](OC(=O)C1=CC=CC=C1)/C=C\C=C\C(=O)O[C@H]1[C@@H](C)C[C@@H]3[C@]1(O)[C@H](O)[C@@]1(CO)O[C@H]1[C@H]1[C@H]4OC5(C6=CC=CC=C6)O[C@@H]([C@@H](C)[C@@]13O5)[C@@]4(O)[C@](C)(O)C2 |
| InChI Key | ZDIWBBJUVBDSOV-DFCSBRLQSA-N |
| Synonym | PubChem ID: 5479113;Rediocide C;4,24-Methano-2,20,23-(epoxymetheno)-7,10-methanocyclopenta[b]-1,3-dioxino[4,5-h]oxireno[e]oxacycloheneicosin-16(4H)-one, 11-(benzoyloxy)-4a,5,6,7,8,9,10,11,17a,18,19,20,20a,21,21a,22a,23,23a-octadecahydro-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,26,27-tetramethyl-2-phenyl-, (2S,4S,4aS,5R,7R... |
| CAS No. | 677277-98-4 |
Synthetic Route by SureRoute
2. ACCEZD186 Molecular Building Block Synthetic Route
Trigonosin F
(2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,24R,27S)-4a,5,20a,21-tetrahydroxy-5,18,21a,24,27-pentamethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl benzoate
4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl 3-methylbutanoate