Chem
J-GLOBAL ID：200907046046837231   Nikkaji number：J1.404.228H

Abiesanolide A

アビエサノリドA
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： C30H40O4
Molecular formula furigana： C30-H40-O4
Molecular weight： 464.646
InChI： InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9,16-17,21,23-24H,1,4,8,10-15H2,2-3,5-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1
InChI key： DYOXXVQSGJXSDF-ZAXMZARQSA-N
SMILES： C[C@H](/C=C/1\OC(=O)C(=C1)C)[C@]1(C)CCC(=C)[C@@]21CC[C@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O
Systematic name  (3)：
  • (1R,3aR)-2′α-[(R)-1-メチル-2-[(2Z)-4-メチル-5-オキソ-2,5-ジヒドロフラン-2-イリデン]エチル]-2′,4-ジメチル-5α-イソプロペニル-5′-メチレン-2,3,3aβ,4,5,6-ヘキサヒドロスピロ[1H-インデン-1,1′-シクロペンタン]-4β-プロピオン酸
  • 3-[(1R,3'aR,4'S,5S,5'S)-4',5-ジメチル-5-[(2R)-1-[(2Z)-4-メチル-5-オキソ-2,5-ジヒドロフラン-2-イリデン]プロパン-2-イル]-2-メチリデン-5'-(プロパ-1-エン-2-イル)-2',3',3'a,4',5',6'-ヘキサヒドロスピロ[シクロペンタン-1,1'-インデン]-4'-イル]プロパン酸
  • 3-[(1R,3'aR,4'S,5S,5'S)-4',5-dimethyl-5-[(2R)-1-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]propan-2-yl]-2-methylidene-5'-(prop-1-en-2-yl)-2',3',3'a,4',5',6'-hexahydrospiro[cyclopentane-1,1'-inden]-4'-yl]propanoic acid
Other name (3)：
  • (1R,3aR)-2′α-[(R)-1-Methyl-2-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]ethyl]-2′,4-dimethyl-5α-isopropenyl-5′-methylene-2,3,3aβ,4,5,6-hexahydrospiro[1H-indene-1,1′-cyclopentane]-4β-propionic acid
  • アビエサノリドA
  • Abiesanolide A
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