Chem
J-GLOBAL ID：200907054387829353   Nikkaji number：J1.275.129J

Comnostin C

コムノスチンC
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： C27H38O5
Molecular formula furigana： C27-H38-O5
Molecular weight： 442.596
InChI： InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20?,21?,24+,25-,26-,27+/m1/s1
InChI key： VEXFNNZBZUDQNY-DALJTSPUSA-N
SMILES： C[C@@H]1CC[C@]2(C)C3CC[C@@](C)(C(=O)O)[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-カルボキシ-3,3aβ,6,7α,9aβ-ペンタメチル-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-カルボキシ-3,3a,6,7,9a-ペンタメチル-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-carboxy-3,3a,6,7,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
Other name (3)：
  • 4-Hydroxy-3-[[(3R)-dodecahydro-3β-carboxy-3,3aβ,6,7α,9aβ-pentamethyl-1H-benzo[e]indene-6α-yl]methyl]benzoic acid
  • コムノスチンC
  • Comnostin C
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