Chem
J-GLOBAL ID:200907002638940003   Nikkaji number:J936.501J

(3aR,4R,6E,9R,10Z,11aS)-3-Methylene-4-(angelyloxy)-6,10-dimethyl-9-acetoxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

(3aR,4R,6E,9R,10Z,11aS)-3-メチレン-4-(アンゲリルオキシ)-6,10-ジメチル-9-アセトキシ-3a,4,5,8,9,11a-ヘキサヒドロシクロデカ[b]フラン-2(3H)-オン
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: C22H28O6
Molecular formula furigana: C22-H28-O6
Molecular weight: 388.460
InChI: InChI=1S/C22H28O6/c1-7-13(3)21(24)27-18-10-12(2)8-9-17(26-16(6)23)14(4)11-19-20(18)15(5)22(25)28-19/h7-8,11,17-20H,5,9-10H2,1-4,6H3/b12-8+,13-7-,14-11-/t17-,18-,19+,20-/m1/s1
InChI key: OJAPMIVDDLNRIZ-RGYQMBDASA-N
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C/C(=C/C[C@@H](OC(=O)C)/C(=C\[C@@H]2OC(=O)C(=C)[C@H]12)/C)/C
Systematic name  (3):
  • (3aR,4R,6E,9R,10Z,11aS)-3-メチレン-4-(アンゲリルオキシ)-6,10-ジメチル-9-アセトキシ-3a,4,5,8,9,11a-ヘキサヒドロシクロデカ[b]フラン-2(3H)-オン
  • (3aR,4R,9R,11aS)-9-(アセチルオキシ)-6,10-ジメチル-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-4-イル (2Z)-2-メチルブタ-2-エノアート
  • (3aR,4R,9R,11aS)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate
Other name (1):
  • (3aR,4R,6E,9R,10Z,11aS)-3-Methylene-4-(angelyloxy)-6,10-dimethyl-9-acetoxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
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