Account (1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-1-(benzoyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulene-4,9,11-triyl triacetate
- Catalog No. :
- ACBANT467
- CAS No. :
- 80454-47-3
- Molecular Formula :
- C33H44O9
- Molecular Weight :
- 584.71
IUPAC Name:(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-1-(benzoyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulene-4,9,11-triyl triacetate
![(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-1-(benzoyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulene-4,9,11-triyl triacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-1-(benzoyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulene-4,9,11-triyl triacetate |
|---|---|
| IUPAC Name | (1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-1-(benzoyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulene-4,9,11-triyl triacetate |
| Molecular Formula | C33H44O9 |
| Molecular Weight | 584.71 |
| SMILES | CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]2/C=C\1C |
| InChI Key | BRVXVMOWTHQKHC-NHTJSLHDSA-N |
| Synonym | (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate;Euphornin;3aH-Cyclopentacyclododecene-1,3a,4,9,11-pentol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 4,9,11-triacetate 1-benzoate, (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)- |
| CAS No. | 80454-47-3 |
Synthetic Route by SureRoute
2. ACBANT467 Molecular Building Block Synthetic Route
(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-7,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,8,13-pentayl pentaacetate
(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,7,8,13-hexayl hexaacetate
(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,8,13-tetrayl tetraacetate