Chem
J-GLOBAL ID:200907017855765764   Nikkaji number:J2.653.313I

Myrtucommulone F

ミルツコムロンF
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: C40H56O10
Molecular formula furigana: C40-H56-O10
Molecular weight: 696.878
InChI: InChI=1S/C40H56O10/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(45)37(6,7)35(49)38(8,9)32(26)46)30(44)25(29(23)43)22(19(4)5)27-33(47)39(10,11)36(50)40(12,13)34(27)48/h18-19,21-22,42-45,47H,14-17H2,1-13H3/t21-,22-/m1/s1
InChI key: LQEXHUUSBGSPPT-FGZHOGPDSA-N
SMILES: CCCCCC(=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O
Systematic name  (3):
  • 4,4′-[2,4,6-トリヒドロキシ-5-ヘキサノイル-1,3-フェニレンビス[(1R)-2-メチル-1,1-プロパンジイル]]-ビス(2,2,6,6-テトラメチル-5-ヒドロキシ-4-シクロヘキセン-1,3-ジオン)
  • 4-[(1R)-1-{3-ヘキサノイル-2,4,6-トリヒドロキシ-5-[(1R)-1-(2-ヒドロキシ-3,3,5,5-テトラメチル-4,6-ジオキソシクロヘキサ-1-エン-1-イル)-2-メチルプロピル]フェニル}-2-メチルプロピル]-5-ヒドロキシ-2,2,6,6-テトラメチルシクロヘキサ-4-エン-1,3-ジオン
  • 4-[(1R)-1-{3-hexanoyl-2,4,6-trihydroxy-5-[(1R)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-en-1-yl)-2-methylpropyl]phenyl}-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
Other name (3):
  • 4,4′-[2,4,6-Trihydroxy-5-hexanoyl-1,3-phenylenebis[(1R)-2-methyl-1,1-propanediyl]]-bis(2,2,6,6-tetramethyl-5-hydroxy-4-cyclohexene-1,3-dione)
  • ミルツコムロンF
  • Myrtucommulone F
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