Account 3-(benzoyloxy)-13a-hydroxy-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-2,4,6,7,13-pentayl pentaacetate
- Catalog No. :
- ACWZJM221
- CAS No. :
- 670257-89-3
- Molecular Formula :
- C43H51NO15
- Molecular Weight :
- 821.87
IUPAC Name:3-(benzoyloxy)-13a-hydroxy-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-2,4,6,7,13-pentayl pentaacetate
![3-(benzoyloxy)-13a-hydroxy-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-2,4,6,7,13-pentayl pentaacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(benzoyloxy)-13a-hydroxy-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-2,4,6,7,13-pentayl pentaacetate |
|---|---|
| IUPAC Name | 3-(benzoyloxy)-13a-hydroxy-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-2,4,6,7,13-pentayl pentaacetate |
| MDL No. | MFCD20274644 |
| Molecular Formula | C43H51NO15 |
| Molecular Weight | 821.87 |
| SMILES | C=C1C(OC(C)=O)C(OC(C)=O)C(OC(=O)C2=CN=CC=C2)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)(OC(C)=O)C(OC(=O)C3=CC=CC=C3)C2C1OC(C)=O |
| InChI Key | SHDZRELSKRRBMR-UHFFFAOYSA-N |
| Synonym | Pepluanin A;3-Pyridinecarboxylic acid, (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,6,7,13-pentakis(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-8-yl ester |
| CAS No. | 670257-89-3 |
Synthetic Route by SureRoute
2. ACWZJM221 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-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,13-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-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,13-triyl triacetate
(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