Chem
J-GLOBAL ID:200907004916652807   Nikkaji number:J1.152.544J

Angelic acid [(3aS,4S,5R,6E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-5-hydroxy-6-(acetoxymethyl)-10-methylcyclodeca[b]furan]-4-yl ester

アンゲリカ酸[(3aS,4S,5R,6E,11aR)-2,3,3a,4,5,8,9,11a-オクタヒドロ-2-オキソ-3-メチレン-5-ヒドロキシ-6-(アセトキシメチル)-10-メチルシクロデカ[b]フラン]-4-イル
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: C22H28O7
Molecular formula furigana: C22-H28-O7
Molecular weight: 404.459
InChI: InChI=1S/C22H28O7/c1-6-13(3)21(25)29-20-18-14(4)22(26)28-17(18)10-12(2)8-7-9-16(19(20)24)11-27-15(5)23/h6,9-10,17-20,24H,4,7-8,11H2,1-3,5H3/b12-10?,13-6-,16-9+/t17-,18+,19-,20+/m1/s1
InChI key: CQQYXDCCHDXYPR-LCYWBCKVSA-N
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)C=C(C)CC/C=C(\COC(=O)C)/[C@H]1O
Systematic name  (3):
  • アンゲリカ酸[(3aS,4S,5R,6E,11aR)-2,3,3a,4,5,8,9,11a-オクタヒドロ-2-オキソ-3-メチレン-5-ヒドロキシ-6-(アセトキシメチル)-10-メチルシクロデカ[b]フラン]-4-イル
  • (3aS,4S,5R,11aR)-6-[(アセチルオキシ)メチル]-5-ヒドロキシ-10-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
  • (3aS,4S,5R,11aR)-6-[(acetyloxy)methyl]-5-hydroxy-10-methyl-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):
  • Angelic acid [(3aS,4S,5R,6E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-5-hydroxy-6-(acetoxymethyl)-10-methylcyclodeca[b]furan]-4-yl ester
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