Chem
J-GLOBAL ID：200907037827094839   Nikkaji number：J1.968.764C

Sonchifolin

ソンキホリン
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： C21H26O6
Molecular formula furigana： C21-H26-O6
Molecular weight： 374.433
InChI： InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+/t16-,17-,18+/m1/s1
InChI key： DBSZDVZLFLCIOQ-SAGJTUEZSA-N
SMILES： COC(=O)/C/1=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)/C(=C\C)/C)/C
Systematic name  (4)：
  • (3aR,6E,10E)-2-オキソ-3-メチレン-4α-[[(Z)-2-メチル-2-ブテノイル]オキシ]-10-メチル-2,3,3aβ,4,5,8,9,11aα-オクタヒドロシクロデカ[b]フラン-6-カルボン酸メチル
  • (3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-オクタヒドロ-10-メチル-3-メチレン-4-[[(Z)-2-メチル-1-オキソ-2-ブテニル]オキシ]-2-オキソシクロデカ[b]フラン-6-カルボン酸メチル
  • メチル (3aR,4R,11aR)-10-メチル-4-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-6-カルボキシラート
  • methyl (3aR,4R,11aR)-10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate
Other name (4)：
  • (3aR,6E,10E)-2-Oxo-3-methylene-4α-[[(Z)-2-methyl-2-butenoyl]oxy]-10-methyl-2,3,3aβ,4,5,8,9,11aα-octahydrocyclodeca[b]furan-6-carboxylic acid methyl ester
  • (3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-Octahydro-10-methyl-3-methylene-4-[[(Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
  • ソンキホリン
  • Sonchifolin
CAS registry number： 166547-25-7
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