Produkty 129099-70-3

CAS 129099-70-3 występuje w naszej ofercie pod nazwami: 3╬Æ,4╬Æ,7╬æ,12╬æ-THBA, 3β,4β,7α,12α-THBA. Oferty producentów: Sigma-Aldrich, MedChemExpress. Dostępne opakowania: 1MG, Get quote.

3Β,4Β,7Α,12Α-THBA
Sigma-Aldrich
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  • Warianty: 1
od 2190,00
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3β,4β,7α,12α-THBA
MedChemExpress
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Wzór strukturalny: {0} (CAS {1})

(4R)-4-[(3S,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 129099-70-3) to związek chemiczny o wzorze sumarycznym C24H40O6 i masie molowej 424.6 g/mol. Nazwa systematyczna IUPAC: (4R)-4-[(3S,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: WGGZRKVUOFMQHM-VCELIZGUSA-N.

Dane identyfikacyjne
Wzór sumarycznyC24H40O6
Masa molowa424.6 g/mol
Nazwa IUPAC(4R)-4-[(3S,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyWGGZRKVUOFMQHM-VCELIZGUSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)C

Dane obliczone przez PubChem (NCBI)

Synonimy: 3beta,4beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid, 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid, orb3144600, 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoate, 3b,4b,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid, 3beta,4beta,7alpha,12alpha-Tetrahydroxy-5beta-cholanoic acid, 3I(2),4I(2),7I+/-,12I+/--Tetrahydroxy-5I(2)-cholan-24-oic acid
Izomery (ten sam wzór sumaryczny)
(4R)-4-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O6
(4R)-4-[(3R,5R,6S,7R,8R,9S,10R,12R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O6
(4R)-4-[(2S,3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O6
(4R)-4-[(3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O6
(4R)-4-[(3R,5R,6S,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O6
(2R,4R)-2-hydroxy-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]pentanoic acid C24H40O6