CAS 35931-54-5 to numer rejestracyjny substancji 21-Angeloyl-protoaescigenin. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate (CAS 35931-54-5) to związek chemiczny o wzorze sumarycznym C35H56O7 i masie molowej 588.8 g/mol. Nazwa systematyczna IUPAC: [(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate. InChIKey: ZVFCKHLBNXUAAD-AVTDRASNSA-N.
| Wzór sumaryczny | C35H56O7 |
|---|---|
| Masa molowa | 588.8 g/mol |
| Nazwa IUPAC | [(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate |
| InChIKey | ZVFCKHLBNXUAAD-AVTDRASNSA-N |
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O |
Dane obliczone przez PubChem (NCBI)