Chem
J-GLOBAL ID:200907017501652938   Nikkaji number:J1.926.935C

9-(4-Pyridyloxy)nonanoic acid 3-cholesteryl ester

9-(4-ピリジルオキシ)ノナン酸3-コレステリル
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: C41H65NO3
Molecular formula furigana: C41-H65-N-O3
Molecular weight: 619.975
InChI: InChI=1S/C41H65NO3/c1-30(2)13-12-14-31(3)36-18-19-37-35-17-16-32-29-34(20-24-40(32,4)38(35)21-25-41(36,37)5)45-39(43)15-10-8-6-7-9-11-28-44-33-22-26-42-27-23-33/h16,22-23,26-27,30-31,34-38H,6-15,17-21,24-25,28-29H2,1-5H3/t31-,34?,35+,36-,37+,38+,40+,41-/m1/s1
InChI key: KQKPQGKELLSDTK-QTCDCUERSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCCOc1ccncc1
Systematic name  (3):
  • 9-(4-ピリジルオキシ)ノナン酸3-コレステリル
  • (1R,3aS,3bS,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 9-(ピリジン-4-イルオキシ)ノナノアート
  • (1R,3aS,3bS,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 9-(pyridin-4-yloxy)nonanoate
Other name (1):
  • 9-(4-Pyridyloxy)nonanoic acid 3-cholesteryl ester
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