Chem
J-GLOBAL ID：200907012093010211   Nikkaji number：J868.057D

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

(1S,2Z,4R,8R,9R,11S,13S)-1-ヒドロキシ-13-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： C20H28O7
Molecular formula furigana： C20-H28-O7
Molecular weight： 380.437
InChI： InChI=1S/C20H28O7/c1-10(2)17(21)26-14-8-19(5)9-15(24-6)20(23,27-19)11(3)7-13-16(14)12(4)18(22)25-13/h7,10,13-16,23H,4,8-9H2,1-3,5-6H3/b11-7-/t13-,14-,15+,16+,19+,20+/m1/s1
InChI key： OIZDLBIQXNXOLL-NFZMRSTLSA-N
SMILES： CO[C@H]1C[C@]2(C)C[C@@H](OC(=O)C(C)C)[C@@H]3[C@H](OC(=O)C3=C)/C=C(/C)\[C@]1(O)O2
Systematic name  (3)：
  • イソ酪酸[(3aR,4R,6S,8S,9S,10Z,11aR)-2-オキソ-3-メチレン-6,10-ジメチル-8-メトキシ-9-ヒドロキシ-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
  • (1S,2Z,4R,8R,9R,11S,13S)-1-ヒドロキシ-13-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
  • (1S,2Z,4R,8R,9R,11S,13S)-1-hydroxy-13-methoxy-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,8S,9S,10Z,11aR)-2-oxo-3-methylene-6,10-dimethyl-8-methoxy-9-hydroxy-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-epoxycyclodeca[b]furan]-4-yl ester
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