Chem
J-GLOBAL ID：200907014437136247   Nikkaji number：J1.902.169F

Nonanedioic acid 1-(22-oxocholesta-5-ene-3β-yl) ester

ノナン二酸1-(22-オキソコレスタ-5-エン-3β-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： C36H58O5
Molecular formula furigana： C36-H58-O5
Molecular weight： 570.855
InChI： InChI=1S/C36H58O5/c1-24(2)13-18-32(37)25(3)29-16-17-30-28-15-14-26-23-27(19-21-35(26,4)31(28)20-22-36(29,30)5)41-34(40)12-10-8-6-7-9-11-33(38)39/h14,24-25,27-31H,6-13,15-23H2,1-5H3,(H,38,39)/t25-,27-,28-,29+,30-,31-,35-,36+/m0/s1
InChI key： IBRMECBPSWYRTE-FLZPXMPMSA-N
SMILES： CC(C)CCC(=O)[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)CCCCCCCC(=O)O
Systematic name  (3)：
  • ノナン二酸1-(22-オキソコレスタ-5-エン-3β-イル)
  • 9-{[(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-[(2S)-6-メチル-3-オキソヘプタン-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]オキシ}-9-オキソノナン酸
  • 9-{[(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-[(2S)-6-methyl-3-oxoheptan-2-yl]-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 (1)：
  • Nonanedioic acid 1-(22-oxocholesta-5-ene-3β-yl) ester
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