Produkty 951694-73-8

CAS 951694-73-8 występuje w naszej ofercie pod nazwami: Obeticholic Acid Impurity 45, Obeticholic Acid Impurity 48, Obeticholic Acid Methyl Ester, >95% (HPLC), Obeticholic Acid Methyl Ester. Oferty producentów: Chemat Brand, Hubei YoungXin, TRC, Mikromol. Dostępne opakowania: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1g, 500mg.

Obeticholic Acid Impurity 45
Chemat Brand
  • opakowanie: on request
  • Warianty: 1
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Obeticholic Acid Impurity 48
Hubei YoungXin
  • opakowanie: 10mg, 25mg, 50mg, 100mg
  • Warianty: 5
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Obeticholic Acid Methyl Ester, >95% (HPLC)
TRC
  • opakowanie: 100mg, 1g, 500mg
  • Warianty: 3
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Obeticholic Acid Methyl Ester
Mikromol
  • opakowanie: 25mg
  • Warianty: 1
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Wzór strukturalny: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 951694-73-8) to związek chemiczny o wzorze sumarycznym C27H46O4 i masie molowej 434.7 g/mol. Nazwa systematyczna IUPAC: methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: QSDDPPUHXXAVJK-ZHWSUUDBSA-N.

Dane identyfikacyjne
Wzór sumarycznyC27H46O4
Masa molowa434.7 g/mol
Nazwa IUPACmethyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyQSDDPPUHXXAVJK-ZHWSUUDBSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)O

Dane obliczone przez PubChem (NCBI)

Synonimy: Obeticholic Acid Methyl Ester, Obeticholic Acid Impurity 31
Izomery (ten sam wzór sumaryczny)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate C27H46O4
(2R,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H46O4
(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H46O4
(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(trideuteriomethyl)heptanoic acid C27H46O4
(2S,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H46O4
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C27H46O4