Account 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
- Catalog No. :
- ACXLRJ950
- CAS No. :
- 1501943-08-3
- Molecular Formula :
- C44H58O13
- Molecular Weight :
- 794.93
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD32645083 |
| Molecular Formula | C44H58O13 |
| Molecular Weight | 794.93 |
| SMILES | CC(C)CC(=O)OC1C=CC=CC(=O)OC2C(C)CC3C2(O)C(O)C2(CO)OC2C2C4OC5(C6=CC=CC=C6)OC(C(C)C23O5)C4(O)C(C)(O)CC2CCC1C2C |
| InChI Key | ZAVYYYQORHVVFN-UHFFFAOYSA-N |
| Synonym | Trigothysoid N;Butanoic acid, 3-methyl-, (2S,4S,4aS,5R,7R,10S,11S,12E,14Z,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-21a-(hydroxymethyl)-5,18,26,27-tetramethyl-16-oxo-2-phenyl-4,24-methano-2,20,23-(epoxymethe...;Butanoic acid, 3-methyl-, (2S,4S,4aS,5R,7R,10S,11S,12E,14Z,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-21a-(hydroxymethyl)-5,18,26,27-tetramethyl-16-oxo-2-phenyl-4,24-methano-2,20,23-(epoxymetheno)-7,10-methanocyclopenta[b]-1,3-dioxino[4,5-h]oxireno[e]oxacycloheneicosin-11-yl ester |
| CAS No. | 1501943-08-3 |
Synthetic Route by SureRoute
2. ACXLRJ950 Molecular Building Block Synthetic Route
(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,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
Trigonosin F