Chem
J-GLOBAL ID：200907063407257806   Nikkaji number：J1.613.803G

oxLig-1

7-ケトコレステリル-9-カルボキシノナノアート
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： C36H58O5
Molecular formula furigana： C36-H58-O5
Molecular weight： 570.855
InChI： InChI=1S/C36H58O5/c1-24(2)12-11-13-25(3)28-16-17-29-34-30(19-21-36(28,29)5)35(4)20-18-27(22-26(35)23-31(34)37)41-33(40)15-10-8-6-7-9-14-32(38)39/h23-25,27-30,34H,6-22H2,1-5H3,(H,38,39)/t25-,27+,28-,29+,30+,34+,35+,36-/m1/s1
InChI key： YEWAZFNDLCTTDN-FJQOAEFNSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(=O)CCCCCCCC(=O)O
Systematic name  (4)：
  • ノナン二酸1-(7-オキソ-3β-コレステリル)
  • ノナン二酸1-(7-オキソコレスタ-5-エン-3β-イル)
  • 9-{[(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]-4-オキソ-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]オキシ}-9-オキソノナン酸
  • 9-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-4-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-9-oxononanoic acid
Other name (5)：
  • Nonanedioic acid 1-(7-oxo-3β-cholesteryl) ester
  • oxLig-1
  • 7-ケトコレステリル-9-カルボキシノナノアート
  • 7-Ketocholesteryl-9-carboxynonanoate
  • Nonanedioic acid 1-(7-oxocholesta-5-ene-3β-yl) ester
Thsaurus map：
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