Chem
J-GLOBAL ID：200907024860034928   Nikkaji number：J747.997B

Fumaric acid 1-(3β-cholesteryl)4-(biphenyl-4-yl) ester

フマル酸1-(3β-コレステリル)4-(ビフェニル-4-イル)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C43H56O4
Molecular formula furigana： C43-H56-O4
Molecular weight： 636.917
InChI： InChI=1S/C43H56O4/c1-29(2)10-9-11-30(3)37-20-21-38-36-19-16-33-28-35(24-26-42(33,4)39(36)25-27-43(37,38)5)47-41(45)23-22-40(44)46-34-17-14-32(15-18-34)31-12-7-6-8-13-31/h6-8,12-18,22-23,29-30,35-39H,9-11,19-21,24-28H2,1-5H3/b23-22+/t30-,35+,36+,37-,38+,39+,42+,43-/m1/s1
InChI key： VTAJCCSHTDJNDE-ZFFSOLBVSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)/C=C/C(=O)Oc1ccc(cc1)c1ccccc1
Systematic name  (3)：
  • フマル酸1-(3β-コレステリル)4-(ビフェニル-4-イル)
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル [1,1'-ビフェニル]-4-イル (2E)-ブタ-2-エンジオアート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl [1,1'-biphenyl]-4-yl (2E)-but-2-enedioate
Other name (1)：
  • Fumaric acid 1-(3β-cholesteryl)4-(biphenyl-4-yl) ester
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