CAS 78518-74-8 to numer rejestracyjny substancji Sipholenone A. Oferty producentów: Chemat. Dostępne opakowania: 100ug.
(5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one (CAS 78518-74-8) to związek chemiczny o wzorze sumarycznym C30H50O4 i masie molowej 474.7 g/mol. Nazwa systematyczna IUPAC: (5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one. InChIKey: LKZQMXLIWZQEEU-KOGSSWOMSA-N.
| Wzór sumaryczny | C30H50O4 |
|---|---|
| Masa molowa | 474.7 g/mol |
| Nazwa IUPAC | (5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| InChIKey | LKZQMXLIWZQEEU-KOGSSWOMSA-N |
| SMILES | CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C([C@H]1CC[C@@H]3[C@]4(CCC(=O)C(O[C@@H]4CC[C@]3(C)O)(C)C)C)(C)C |
Dane obliczone przez PubChem (NCBI)