Produkty 87667-61-6

CAS 87667-61-6 to numer rejestracyjny substancji (1S,4AS,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid, 98%. Oferty producentów: Chemat Brand. Dostępne opakowania: on request.

(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (CAS 87667-61-6) to związek chemiczny o wzorze sumarycznym C23H28O12 i masie molowej 496.5 g/mol. Nazwa systematyczna IUPAC: (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid. InChIKey: IUXOFSAPFXGQID-KLZCBZFCSA-N.

Dane identyfikacyjne
Wzór sumarycznyC23H28O12
Masa molowa496.5 g/mol
Nazwa IUPAC(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChIKeyIUXOFSAPFXGQID-KLZCBZFCSA-N
SMILESC[C@@]1(CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O

Dane obliczone przez PubChem (NCBI)