Produkty 139953-58-5
CAS 139953-58-5 to numer rejestracyjny substancji Aldecalmycin. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal (CAS 139953-58-5) to związek chemiczny o wzorze sumarycznym C33H54O9 i masie molowej 594.8 g/mol. Nazwa systematyczna IUPAC: 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal. InChIKey: BKXWBAOGONGQJL-LFYCWKIZSA-N.
| Wzór sumaryczny | C33H54O9 |
|---|---|
| Masa molowa | 594.8 g/mol |
| Nazwa IUPAC | 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal |
| InChIKey | BKXWBAOGONGQJL-LFYCWKIZSA-N |
| SMILES | CC/C=C(\C)/[C@H]([C@@H](C)[C@H](C[C@H]1C(=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@@]1(C)C(=O)CC=O)C)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
Dane obliczone przez PubChem (NCBI)
Synonimy:
Aldecalmycin