Chem
J-GLOBAL ID：200907099903216111   Nikkaji number：J1.828.003E

11-(Methacryloylamino)undecanoic acid 3β-cholesteryl ester

11-(メタクリロイルアミノ)ウンデカン酸3β-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： C42H71NO3
Molecular formula furigana： C42-H71-N-O3
Molecular weight： 638.034
InChI： InChI=1S/C42H71NO3/c1-30(2)17-16-18-32(5)36-22-23-37-35-21-20-33-29-34(24-26-41(33,6)38(35)25-27-42(36,37)7)46-39(44)19-14-12-10-8-9-11-13-15-28-43-40(45)31(3)4/h20,30,32,34-38H,3,8-19,21-29H2,1-2,4-7H3,(H,43,45)/t32-,34+,35+,36-,37+,38+,41+,42-/m1/s1
InChI key： XYWNUFKGVNBQMA-MLQIHKOTSA-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)CCCCCCCCCCNC(=O)C(=C)C
Systematic name  (3)：
  • 11-(メタクリロイルアミノ)ウンデカン酸3β-コレステリル
  • (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 11-(2-メチルプロパ-2-エンアミド)ウンデカノアート
  • (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 11-(2-methylprop-2-enamido)undecanoate
Other name (1)：
  • 11-(Methacryloylamino)undecanoic acid 3β-cholesteryl ester
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