Chem
J-GLOBAL ID：200907088696547593   Nikkaji number：J868.056F

Isobutyric acid [(3aR,4R,6S,7R,9R,10Z,11aR)-2-oxo-3-methylene-6,10-dimethyl-7,9-dimethoxy-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-epoxycyclodeca[b]furan]-4-yl ester

(1R,2Z,4R,8R,9R,11S,12R)-1,12-ジメトキシ-2,11-ジメチル-7-メチリデン-6-オキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-2-エン-9-イル 2-メチルプロパノアート
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： C21H30O7
Molecular formula furigana： C21-H30-O7
Molecular weight： 394.464
InChI： InChI=1S/C21H30O7/c1-11(2)18(22)27-15-9-20(5)16(24-6)10-21(25-7,28-20)12(3)8-14-17(15)13(4)19(23)26-14/h8,11,14-17H,4,9-10H2,1-3,5-7H3/b12-8-/t14-,15-,16-,17+,20+,21-/m1/s1
InChI key： CKIYXPLLXPJWGV-JECIWIJCSA-N
SMILES： CO[C@@H]1C[C@@]2(OC)O[C@@]1(C)C[C@@H](OC(=O)C(C)C)[C@@H]1[C@H](OC(=O)C1=C)/C=C\2/C
Systematic name  (3)：
  • イソ酪酸[(3aR,4R,6S,7R,9R,10Z,11aR)-2-オキソ-3-メチレン-6,10-ジメチル-7,9-ジメトキシ-2,3,3a,4,5,6,7,8,9,11a-デカヒドロ-6,9-エポキシシクロデカ[b]フラン]-4-イル
  • (1R,2Z,4R,8R,9R,11S,12R)-1,12-ジメトキシ-2,11-ジメチル-7-メチリデン-6-オキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-2-エン-9-イル 2-メチルプロパノアート
  • (1R,2Z,4R,8R,9R,11S,12R)-1,12-dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl 2-methylpropanoate
Other name (1)：
  • Isobutyric acid [(3aR,4R,6S,7R,9R,10Z,11aR)-2-oxo-3-methylene-6,10-dimethyl-7,9-dimethoxy-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-epoxycyclodeca[b]furan]-4-yl ester
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