Chem
J-GLOBAL ID：200907083369072997   Nikkaji number：J492.811C

(3S,4Z,6R,7R,8R,10S)-3,6,10-Trihydroxy-8-[(isobutyryl)oxy]germacra-4,11(13)-dien-12-oic acid 12,6-lactone

(3S,4Z,6R,7R,8R,10S)-3,6,10-トリヒドロキシ-8-[(イソブチリル)オキシ]ゲルマクラ-4,11(13)-ジエン-12-酸12,6-ラクトン
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： C19H28O6
Molecular formula furigana： C19-H28-O6
Molecular weight： 352.427
InChI： InChI=1S/C19H28O6/c1-10(2)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h8,10,13-16,20,23H,4,6-7,9H2,1-3,5H3/b11-8-/t13?,14-,15?,16+,19+/m1/s1
InChI key： OPKKJQLJLHVCKR-UFMZMEJZSA-N
SMILES： CC(C)C(=O)OC1C[C@@](C)(O)CCC(O)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (3)：
  • (3S,4Z,6R,7R,8R,10S)-3,6,10-トリヒドロキシ-8-[(イソブチリル)オキシ]ゲルマクラ-4,11(13)-ジエン-12-酸12,6-ラクトン
  • (3aR,4R,6S,9S,11aR)-6,9-ジヒドロキシ-6,10-ジメチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-シクロデカ[b]フラン-4-イル 2-メチルプロパノアート
  • (3aR,4R,6S,9S,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate
Other name (1)：
  • (3S,4Z,6R,7R,8R,10S)-3,6,10-Trihydroxy-8-[(isobutyryl)oxy]germacra-4,11(13)-dien-12-oic acid 12,6-lactone
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