Chem
J-GLOBAL ID：200907017613434518   Nikkaji number：J1.389.512K

(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid 3-cholesteryl ester

(10E,12Z)-9-ヒドロペルオキシ-10,12-オクタデカジエン酸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： C45H76O4
Molecular formula furigana： C45-H76-O4
Molecular weight： 681.099
InChI： InChI=1S/C45H76O4/c1-7-8-9-10-11-13-16-22-37(49-47)23-17-14-12-15-18-24-43(46)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h11,13,16,22,25,34-35,37-42,47H,7-10,12,14-15,17-21,23-24,26-33H2,1-6H3/b13-11-,22-16+/t35-,37?,38?,39+,40-,41+,42+,44+,45-/m1/s1
InChI key： PJEDIANARLMFBK-WNLRBAIUSA-N
SMILES： CCCCC/C=C\C=C\C(CCCCCCCC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C)OO
Systematic name  (3)：
  • (10E,12Z)-9-ヒドロペルオキシ-10,12-オクタデカジエン酸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 (10E,12Z)-9-ヒドロペルオキシオクタデカ-10,12-ジエノアート
  • (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 (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
Other name (1)：
  • (10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid 3-cholesteryl ester
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