Account (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
- Catalog No. :
- ACSMST888
- CAS No. :
- 310433-44-4
- Molecular Formula :
- C20H29NO3
- Molecular Weight :
- 331.46
IUPAC Name:(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
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Product Information
| Product Name | (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid |
|---|---|
| IUPAC Name | (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid |
| MDL No. | MFCD20260621 |
| Molecular Formula | C20H29NO3 |
| Molecular Weight | 331.46 |
| SMILES | C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCNC1=O |
| InChI Key | SMVIBINEORXRIL-MPRPZVOOSA-N |
| Synonym | Echiphyllin C;Echinophyllin C;(4aR,5S,6R,8aR)-5-[2-(2,5-Dihydro-2-oxo-1H-pyrrol-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-1-naphthalenecarboxylic acid;Echinophylline C;1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-1H-pyrrol-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4aR,5S,6R,8aR)- |
| CAS No. | 310433-44-4 |
Synthetic Route by SureRoute
2. ACSMST888 Molecular Building Block Synthetic Route
3-((3R,5R,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1H-pyrrole-2,5-dione
3-((5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1H-pyrrole-2,5-dione
(4aR,5S,6R,8aR)-5-((E)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid