Chem
J-GLOBAL ID：200907038862767346   Nikkaji number：J1.419.069D

Crinatusin C2

クリナツシンC2
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： C26H30O4
Molecular formula furigana： C26-H30-O4
Molecular weight： 406.522
InChI： InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(19-10-5-4-6-11-19)22(14-18)26(29)25-23(28)15-20(27)16-24(25)30-3/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3/t21-,22?/m0/s1
InChI key： LPKJICQWVHIRIV-HMTLIYDFSA-N
SMILES： COc1cc(O)cc(O)c1C(=O)C1CC(=CC[C@H]1c1ccccc1)CCC=C(C)C
Systematic name  (3)：
  • (2-メトキシ-4,6-ジヒドロキシフェニル)[(6R)-3-(4-メチル-3-ペンテニル)-6-フェニル-3-シクロヘキセニル]ケトン
  • 5-メトキシ-4-[(6R)-3-(4-メチルペンタ-3-エン-1-イル)-6-フェニルシクロヘキサ-3-エン-1-カルボニル]ベンゼン-1,3-ジオール
  • 5-methoxy-4-[(6R)-3-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
Other name (3)：
  • (2-Methoxy-4,6-dihydroxyphenyl)[(6R)-3-(4-methyl-3-pentenyl)-6-phenyl-3-cyclohexenyl] ketone
  • クリナツシンC2
  • Crinatusin C2
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