Account (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
- Catalog No. :
- ACOWWE560
- CAS No. :
- 210108-88-6
- Molecular Formula :
- C39H52O14
- Molecular Weight :
- 744.83
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C39H52O14 |
| Molecular Weight | 744.83 |
| SMILES | C=C1[C@H](OC(=O)C(C)C)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]2[C@H]1OC(C)=O |
| InChI Key | WITHKWWZWFNDND-WZUBBBPASA-N |
| Synonym | Jatrophane 4;2,5,9,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxyjatropha-6(17),11E-diene;2,5,9,14-Tetraacetoxy-3-isobutyroyloxyjatropha-6(17),11E-benzoyloxy-8,15-dihydroxy-7-diene;Propanoic acid, 2-methyl-, (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,8,13-tetrakis(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-7,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-6-yl ester |
| CAS No. | 210108-88-6 |
Synthetic Route by SureRoute
2. ACOWWE560 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-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,13-triyl triacetate