Chem
J-GLOBAL ID:200907081486727764
Nikkaji number:J2.718.308E
Sargafuran
サルガフラン
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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:
C27 H36 O4
Molecular formula furigana:
C27-H36-O4
Molecular weight:
424.581
InChI:
InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(28)29)13-7-10-20(3)11-8-14-24-23(17-18-27(24,5)30)25-16-15-21(4)31-25/h9,11,13,15-18,30H,6-8,10,12,14H2,1-5H3,(H,28,29)
InChI key:
NPAWFSFXBCIQRF-UHFFFAOYSA-N
SMILES:
CC(=CCCC(=CCCC(=CCCC1=C(C=CC1(C)O)c1ccc(C)o1)C)C(=O)O)C
Systematic name (3):
2-メチル-5-[3-ヒドロキシ-3-メチル-2-(8-カルボキシ-4,12-ジメチル-3,7,11-トリデカトリエニル)-1,4-シクロペンタジエニル]フラン
9-[5-ヒドロキシ-5-メチル-2-(5-メチルフラン-2-イル)シクロペンタ-1,3-ジエン-1-イル]-6-メチル-2-(4-メチルペンタ-3-エン-1-イル)ノナ-2,6-ジエン酸
9-[5-hydroxy-5-methyl-2-(5-methylfuran-2-yl)cyclopenta-1,3-dien-1-yl]-6-methyl-2-(4-methylpent-3-en-1-yl)nona-2,6-dienoic acid
Other name (3):
2-Methyl-5-[3-hydroxy-3-methyl-2-(8-carboxy-4,12-dimethyl-3,7,11-tridecatrienyl)-1,4-cyclopentadienyl]furan
サルガフラン
Sargafuran
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