Account (2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,23S,23aR,24R,25R,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 3-methylbutanoate
- Catalog No. :
- ACHLDR698
- CAS No. :
- 1501943-10-7
- Molecular Formula :
- C44H58O12
- Molecular Weight :
- 778.94
IUPAC Name:(2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,23S,23aR,24R,25R,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 3-methylbutanoate
![(2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,23S,23aR,24R,25R,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 3-methylbutanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,23S,23aR,24R,25R,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 3-methylbutanoate |
|---|---|
| IUPAC Name | (2S,4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,23S,23aR,24R,25R,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 3-methylbutanoate |
| Molecular Formula | C44H58O12 |
| Molecular Weight | 778.94 |
| SMILES | CC(C)CC(=O)O[C@H]1/C=C\C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(C)OC2[C@H]2[C@H]4O[C@]5(C6=CC=CC=C6)O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C |
| InChI Key | RWZNHRBBFPIOQX-DNFVIXMQSA-N |
| Synonym | Trigothysoid P;Butanoic acid, 3-methyl-, (2S,4S,4aS,5R,7R,10S,11S,12Z,14E,17aS,18S,20R,20aS,21S,21aR,22aS,23S,23aR,24R,26S,27R)-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-eicosahydro-4a,5,20a,21-tetrahydroxy-5,18,21a,26,27-pentamethyl-16-oxo-2-phenyl-4,24-methano-2,20,23-(epoxymetheno)-7,10-methano... |
| CAS No. | 1501943-10-7 |
Synthetic Route by SureRoute
2. ACHLDR698 Molecular Building Block Synthetic Route
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
(4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,23S,23aR,24R,25R,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 3-methylbutanoate
(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