Chem
J-GLOBAL ID：200907079504405899   Nikkaji number：J1.404.229F

Abiesanolide B

アビエサノリドB
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： C31H42O4
Molecular formula furigana： C31-H42-O4
Molecular weight： 478.673
InChI： InChI=1S/C31H42O4/c1-19(2)24-9-10-26-25(29(24,6)14-13-27(32)34-8)12-16-31(26)21(4)11-15-30(31,7)22(5)18-23-17-20(3)28(33)35-23/h10,17-18,22,24-25H,1,4,9,11-16H2,2-3,5-8H3/b23-18-/t22-,24+,25+,29+,30+,31+/m1/s1
InChI key： SCFQRFXFMHGBPY-VEIKWZLVSA-N
SMILES： COC(=O)CC[C@]1(C)[C@H]2CC[C@]3(C(=C)CC[C@@]3(C)[C@H](C)/C=C/3\OC(=O)C(=C3)C)C2=CC[C@H]1C(=C)C
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-プロピオン酸メチル
  • メチル 3-[(1R,2S,3'aR,4'S,5'S)-2,4'-ジメチル-2-[(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]-5-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]プロパノアート
  • methyl 3-[(1R,2S,3'aR,4'S,5'S)-2,4'-dimethyl-2-[(2R)-1-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]propan-2-yl]-5-methylidene-5'-(prop-1-en-2-yl)-2',3',3'a,4',5',6'-hexahydrospiro[cyclopentane-1,1'-inden]-4'-yl]propanoate
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 methyl ester
  • アビエサノリドB
  • Abiesanolide B
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