Chem
J-GLOBAL ID：200907076511992652   Nikkaji number：J1.175.723E

(2R,5S)-4,4′aα,5,5′,6′,7′,8′,8′a-Octahydro-2′,5,6′α,8′aβ-tetramethyl-5′-methylenespiro[furan-2(3H),1′(4′H)-naphthalene]-5-acetic acid methyl ester

(2R,5S)-4,4′aα,5,5′,6′,7′,8′,8′a-オクタヒドロ-2′,5,6′α,8′aβ-テトラメチル-5′-メチレンスピロ[フラン-2(3H),1′(4′H)-ナフタレン]-5-酢酸メチル
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： C21H32O3
Molecular formula furigana： C21-H32-O3
Molecular weight： 332.484
InChI： InChI=1S/C21H32O3/c1-14-9-10-20(5)17(16(14)3)8-7-15(2)21(20)12-11-19(4,24-21)13-18(22)23-6/h7,14,17H,3,8-13H2,1-2,4-6H3/t14-,17+,19+,20+,21-/m1/s1
InChI key： XLUDWSKRJGFMDI-XYSIFLHBSA-N
SMILES： COC(=O)C[C@]1(C)CC[C@@]2(O1)C(=CC[C@H]1C(=C)[C@H](C)CC[C@]21C)C
Systematic name  (4)：
  • (2R,5S)-4,4′aα,5,5′,6′,7′,8′,8′a-オクタヒドロ-2′,5,6′α,8′aβ-テトラメチル-5′-メチレンスピロ[フラン-2(3H),1′(4′H)-ナフタレン]-5-酢酸メチル
  • (1R,4aS,5′S,6R,8aS)-2,5′,6,8a-テトラメチル-5-メチレン-4a,4′,5,5′,6,7,8,8a-オクタヒドロスピロ[ナフタレン-1(4H),2′(3′H)-フラン]-5′-酢酸メチル
  • メチル 2-[(1R,4aS,5'S,6R,8aS)-2,5',6,8a-テトラメチル-5-メチリデン-4a,5,6,7,8,8a-ヘキサヒドロ-4H-スピロ[ナフタレン-1,2'-オキソラン]-5'-イル]アセタート
  • methyl 2-[(1R,4aS,5'S,6R,8aS)-2,5',6,8a-tetramethyl-5-methylidene-4a,5,6,7,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetate
Other name (2)：
  • (2R,5S)-4,4′aα,5,5′,6′,7′,8′,8′a-Octahydro-2′,5,6′α,8′aβ-tetramethyl-5′-methylenespiro[furan-2(3H),1′(4′H)-naphthalene]-5-acetic acid methyl ester
  • (1R,4aS,5′S,6R,8aS)-2,5′,6,8a-Tetramethyl-5-methylene-4a,4′,5,5′,6,7,8,8a-octahydrospiro[naphthalene-1(4H),2′(3′H)-furan]-5′-acetic acid methyl ester
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