Chem
J-GLOBAL ID：200907036311909325   Nikkaji number：J1.404.230J

Abiesanolide C

アビエサノリドC
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/h9-10,16-17,21,23-24H,1,8,11-15H2,2-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1
InChI key： KZXGQBBDMVLTOX-ZAXMZARQSA-N
SMILES： C[C@H](/C=C/1\OC(=O)C(=C1)C)[C@]1(C)CC=C(C)[C@@]21CC[C@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O
Systematic name  (3)：
  • (1R,3aR)-2′,4,5′α-トリメチル-5α-イソプロペニル-5′-[(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]-2,3,3aβ,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]-2′-エン-4β-プロピオン酸
  • 3-[(1R,3'aR,4'S,5S,5'S)-2,4',5-トリメチル-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]-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]-2-エン-4'-イル]プロパン酸
  • 3-[(1R,3'aR,4'S,5S,5'S)-2,4',5-trimethyl-5-[(2R)-1-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]propan-2-yl]-5'-(prop-1-en-2-yl)-2',3',3'a,4',5',6'-hexahydrospiro[cyclopentane-1,1'-inden]-2-en-4'-yl]propanoic acid
Other name (3)：
  • (1R,3aR)-2′,4,5′α-Trimethyl-5α-isopropenyl-5′-[(R)-1-methyl-2-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]ethyl]-2,3,3aβ,4,5,6-hexahydrospiro[1H-indene-1,1′-cyclopentane]-2′-ene-4β-propionic acid
  • アビエサノリドC
  • Abiesanolide C
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