Account (1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate
- Catalog No. :
- ACWDFI410
- CAS No. :
- 244277-75-6
- Molecular Formula :
- C34H43NO11
- Molecular Weight :
- 641.71
IUPAC Name:(1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate
![(1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate |
|---|---|
| IUPAC Name | (1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate |
| MDL No. | MFCD28009405 |
| Molecular Formula | C34H43NO11 |
| Molecular Weight | 641.71 |
| SMILES | C=C1[C@H](OC(C)=O)C[C@@H](OC(=O)C2=CN=CC=C2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O |
| InChI Key | TXGHOMTZFCIHDL-JLACXKQRSA-N |
| Synonym | 3,5,7,15-TETRAACETOXY-9-NICOTIN;3-Pyridinecarboxylic acid (2S,3S,3aR,4R,6R,8R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl ester Molecular Weight 641.71 pKa (Predicted) Value: 3.09±0.10 | Condition: Most Basic Temp: 25 °C Boiling Point (Predicted) Value: 669.2±55.0 °C | Condition: Press: 760 Torr Density (Predicted) Value: 1.23±0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr;3,5,7,15-Tetraacetoxy-9- nicotinoyloxy-6(17),11-jatrophadien-14-one;0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr;3-Pyridinecarboxylic acid, (2S,3S,3aR,4R,6R,8R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl ester |
| CAS No. | 244277-75-6 |
Synthetic Route by SureRoute
2. ACWDFI410 Molecular Building Block Synthetic Route
(1R,2R,3aR,5R,9R,11R,13R,13aS,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,2,3a,11,13-pentayl pentaacetate
(1aR,4aR,6S,7S,7aR,8R,11aS,E)-1,1,3,6-tetramethyl-9-methylene-7-(nicotinoyloxy)-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,8-diyl diacetate
(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