Account (1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-4a,10a-dihydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate
- Catalog No. :
- ACFXJJ013
- CAS No. :
- 1309079-08-0
- Molecular Formula :
- C25H34O10
- Molecular Weight :
- 494.54
IUPAC Name:(1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-4a,10a-dihydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate
![(1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-4a,10a-dihydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-4a,10a-dihydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate |
|---|---|
| IUPAC Name | (1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-4a,10a-dihydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate |
| MDL No. | MFCD28987448 |
| Molecular Formula | C25H34O10 |
| Molecular Weight | 494.54 |
| SMILES | COC(=O)[C@@H]1C2=CC(=O)O[C@]2(O)C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C |
| InChI Key | RQEZCEFFMHSION-PMYJFBFISA-N |
| Synonym | 7-O-Acetylneocaesalpin N;(1S,4aR,6S,6aR,7S,10aR,11aS,11bS)-1,6-Bis(acetyloxy)-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydro-4a,10a-dihydroxy-4,4,11b-trimethyl-9-oxophenanthro[3,2-b]furan-7-carboxylic acid methyl ester;RQEZCEFFMHSION-UHFFFAOYSA-N;Phenanthro[3,2-b]furan-7-carboxylic acid, 1,6-bis(acetyloxy)-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydro-4a,10a-dihydroxy-4,4,11b-trimethyl-9-oxo-, methyl ester, (1S,4aR,6S,6aR,7S,10aR,11aS,11bS)- |
| CAS No. | 1309079-08-0 |
Synthetic Route by SureRoute
2. ACFXJJ013 Molecular Building Block Synthetic Route
(1S,4aR,5S,6R,6aS,7S,10aR,11aS,11bS)-4a,7,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate
Tylogenin
methyl (1S,4R,5S,5aS,9aR)-5-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate