Produkty 130325-58-5

CAS 130325-58-5 to numer rejestracyjny substancji Tauro-w-Muricholic Acid. Oferty producentów: Chemat Brand. Dostępne opakowania: on request.

Tauro-w-Muricholic Acid
Chemat Brand
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  • Warianty: 1
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Wzór strukturalny: {0} (CAS {1})

2-[[(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid (CAS 130325-58-5) to związek chemiczny o wzorze sumarycznym C26H45NO7S i masie molowej 515.7 g/mol. Nazwa systematyczna IUPAC: 2-[[(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid. InChIKey: XSOLDPYUICCHJX-SYCKBGHMSA-N.

Dane identyfikacyjne
Wzór sumarycznyC26H45NO7S
Masa molowa515.7 g/mol
Nazwa IUPAC2-[[(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
InChIKeyXSOLDPYUICCHJX-SYCKBGHMSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Dane obliczone przez PubChem (NCBI)

Synonimy: Tauro-omega-muricholic acid, T-omega-MCA, N-(3alpha,6alpha,7beta-trihydroxy-5beta-cholan-24-oyl)-taurine, TOMCA, Tauro-?-muricholic Acid (sodium salt), TwMCA, TOMCA; T-omega-MCA
Powiązane formy tego związku
2-[[(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S
2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S
2-[[(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S
Izomery (ten sam wzór sumaryczny)
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S
2-[[(4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S