Chem
J-GLOBAL ID:200907018647477077   Nikkaji number:J1.152.548B

Angelic acid [(3aS,6aβ,9aβ,9bα)-dodecahydro-2,11-dioxo-3-methylene-5α-hydroxy-9α,6α-(epoxymethano)-9-methylazuleno[4,5-b]furan]-4α-yl ester

アンゲリカ酸[(3aS,6aβ,9aβ,9bα)-ドデカヒドロ-2,11-ジオキソ-3-メチレン-5α-ヒドロキシ-9α,6α-(エポキシメタノ)-9-メチルアズレノ[4,5-b]フラン]-4α-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: C20H24O7
Molecular formula furigana: C20-H24-O7
Molecular weight: 376.405
InChI: InChI=1S/C20H24O7/c1-5-8(2)17(22)26-16-11-9(3)18(23)25-15(11)13-10-6-7-20(13,4)27-19(24)12(10)14(16)21/h5,10-16,21H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13-,14+,15-,16-,20-/m0/s1
InChI key: MUHBGPCDKPLZGI-MCESGJDGSA-N
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@H]3CC[C@]2(C)OC(=O)[C@H]3[C@H]1O
Systematic name  (3):
  • アンゲリカ酸[(3aS,6aβ,9aβ,9bα)-ドデカヒドロ-2,11-ジオキソ-3-メチレン-5α-ヒドロキシ-9α,6α-(エポキシメタノ)-9-メチルアズレノ[4,5-b]フラン]-4α-イル
  • (1R,2S,3S,7S,8S,9R,10R,13S)-9-ヒドロキシ-13-メチル-6-メチリデン-5,11-ジオキソ-4,12-ジオキサテトラシクロ[8.5.0.02,13.03,7]ペンタデカン-8-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,2S,3S,7S,8S,9R,10R,13S)-9-hydroxy-13-methyl-6-methylidene-5,11-dioxo-4,12-dioxatetracyclo[8.5.0.02,13.03,7]pentadecan-8-yl (2Z)-2-methylbut-2-enoate
Other name (1):
  • Angelic acid [(3aS,6aβ,9aβ,9bα)-dodecahydro-2,11-dioxo-3-methylene-5α-hydroxy-9α,6α-(epoxymethano)-9-methylazuleno[4,5-b]furan]-4α-yl ester
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