Chem
J-GLOBAL ID：201907010106163874   Nikkaji number：J3.732.338A

Pyrenulic acid C

ピレヌル酸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： C26H36O6
Molecular formula furigana： C26-H36-O6
Molecular weight： 444.568
InChI： InChI=1S/C26H36O6/c1-15-9-10-19-18(13-15)14-17(3)22-25(4)24(16(2)11-12-31-25)32-20(23(29)26(19,22)30)7-5-6-8-21(27)28/h5-9,14,16,18-20,22-24,29-30H,10-13H2,1-4H3,(H,27,28)/b7-5+,8-6+/t16-,18+,19-,20-,22+,23-,24-,25+,26-/m1/s1
InChI key： ROAXMKARTPGXAB-ITGIICLMSA-N
SMILES： C(=O)(/C=C/C=C/[C@H]1O[C@H]2[C@]([C@H]3[C@@]([C@@H]1O)([C@@H]1CC=C(C[C@H]1C=C3C)C)O)(OCC[C@H]2C)C)O
Systematic name  (3)：
  • (2E,4E)-5-[(1R,2S,6R,7R,9R,10R,11R,12R,17S)-2,6,15,19-テトラメチル-10,11-ジヒドロキシ-3,8-ジオキサテトラシクロ[9.8.0.02,7.012,17]ノナデカ-14,18-ジエン-9-イル]ペンタ-2,4-ジエン酸
  • (2E,4E)-5-[(1R,2S,6R,7R,9R,10R,11R,12R,17S)-10,11-ジヒドロキシ-2,6,15,19-テトラメチル-3,8-ジオキサテトラシクロ[9.8.0.02,7.012,17]ノナデカ-14,18-ジエン-9-イル]ペンタ-2,4-ジエン酸
  • (2E,4E)-5-[(1R,2S,6R,7R,9R,10R,11R,12R,17S)-10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-14,18-dien-9-yl]penta-2,4-dienoic acid
Other name (2)：
  • ピレヌル酸C
  • Pyrenulic acid C
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