Chem
J-GLOBAL ID：200907007090734738   Nikkaji number：J1.275.131A

Comnostin E

コムノスチンE
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： C27H38O4
Molecular formula furigana： C27-H38-O4
Molecular weight： 426.597
InChI： InChI=1S/C27H38O4/c1-16-10-12-26(4)22-9-7-20(17(2)28)25(22,3)13-11-23(26)27(16,5)15-19-14-18(24(30)31)6-8-21(19)29/h6,8,14,16,20,22-23,29H,7,9-13,15H2,1-5H3,(H,30,31)/t16-,20+,22?,23?,25+,26-,27-/m1/s1
InChI key： PCLWWUDFTVTRTJ-ATCNUFKCSA-N
SMILES： C[C@@H]1CC[C@]2(C)C3CC[C@@H](C(=O)C)[C@]3(C)CCC2[C@]1(C)Cc1cc(ccc1O)C(=O)O
Systematic name  (3)：
  • 4-ヒドロキシ-3-[[(3R)-ドデカヒドロ-3β-アセチル-3aβ,6,7α,9aβ-テトラメチル-1H-ベンゾ[e]インデン-6α-イル]メチル]安息香酸
  • 3-{[(3R,3aR,6R,7R,9aS)-3-アセチル-3a,6,7,9a-テトラメチル-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-6-イル]メチル}-4-ヒドロキシ安息香酸
  • 3-{[(3R,3aR,6R,7R,9aS)-3-acetyl-3a,6,7,9a-tetramethyl-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
Other name (3)：
  • 4-Hydroxy-3-[[(3R)-dodecahydro-3β-acetyl-3aβ,6,7α,9aβ-tetramethyl-1H-benzo[e]indene-6α-yl]methyl]benzoic acid
  • コムノスチンE
  • Comnostin E
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