NCS
中国新化学物质查询
N,N-Dioctyl-3α,12α-bis(4-trifluoroacetylbenzoyloxy)-5β-cholan-24-amide(Carbonate ionophore VII)
MFCD21363129
CAS号: 222310-82-9
IUPAC名称: [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-(dioctylamino)-5-oxopentan-2-yl]-10,13-dimethyl-12-[4-(2,2,2-trifluoroacetyl)benzoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(2,2,2-trifluoroacetyl)benzoate
分子式: C58H79F6NO7
分子量: 1016.24000
InChI: InChI=1S/C58H79F6NO7/c1-6-8-10-12-14-16-34-65(35-17-15-13-11-9-7-2)50(66)31-18-38(3)46-29-30-47-45-28-27-43-36-44(71-53(69)41-23-19-39(20-24-41)51(67)57(59,60)61)32-33-55(43,4)48(45)37-49(56(46,47)5)72-54(70)42-25-21-40(22-26-42)52(68)58(62,63)64/h19-26,38,43-49H,6-18,27-37H2,1-5H3/t38-,43-,44-,45+,46-,47+,48+,49+,55+,56-/m1/s1
InChIKey: PNOQSKXIBWVYCX-PNZPGYLPSA-N
SMILES: CCCCCCCCN(CCCCCCCC)C(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC(=O)C6=CC=C(C=C6)C(=O)C(F)(F)F)C
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