Chem
J-GLOBAL ID：200907088920399171   Nikkaji number：J682.347E

2-[(1R,2E,4R,7E,10S,11S,12R)-1,4,8-Trimethyl-10-acetoxybicyclo[9.3.0]tetradecane-2,7-diene-12-yl]-2-propanol

2-[(1R,2E,4R,7E,10S,11S,12R)-1,4,8-トリメチル-10-アセトキシビシクロ[9.3.0]テトラデカン-2,7-ジエン-12-イル]-2-プロパノール
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： C22H36O3
Molecular formula furigana： C22-H36-O3
Molecular weight： 348.527
InChI： InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19?,20-,22+/m1/s1
InChI key： QPIUBKNTZMBLLI-BPVSIARKSA-N
SMILES： C[C@@H]1CC/C=C(\C)/CC(OC(=O)C)[C@H]2[C@@H](CC[C@]2(C)/C=C/1)C(C)(C)O
Systematic name  (4)：
  • (1R,3aR,4E,6R,9E,12S,12aS)-1,2,3,3a,6,7,8,11,12,12a-デカヒドロ-1-(1-メチル-1-ヒドロキシエチル)-3a,6,10-トリメチルシクロペンタシクロウンデセン-12-オール12-アセタート
  • 2-[(1R,2E,4R,7E,10S,11S,12R)-1,4,8-トリメチル-10-アセトキシビシクロ[9.3.0]テトラデカン-2,7-ジエン-12-イル]-2-プロパノール
  • (3R,3aS,4S,10R,12aR)-3-(2-ヒドロキシプロパン-2-イル)-6,10,12a-トリメチル-1H,2H,3H,3aH,4H,5H,8H,9H,10H,12aH-シクロペンタ[11]アンヌレン-4-イル アセタート
  • (3R,3aS,4S,10R,12aR)-3-(2-hydroxypropan-2-yl)-6,10,12a-trimethyl-1H,2H,3H,3aH,4H,5H,8H,9H,10H,12aH-cyclopenta[11]annulen-4-yl acetate
Other name (2)：
  • (1R,3aR,4E,6R,9E,12S,12aS)-1,2,3,3a,6,7,8,11,12,12a-Decahydro-1-(1-methyl-1-hydroxyethyl)-3a,6,10-trimethylcyclopentacycloundecen-12-ol 12-acetate
  • 2-[(1R,2E,4R,7E,10S,11S,12R)-1,4,8-Trimethyl-10-acetoxybicyclo[9.3.0]tetradecane-2,7-diene-12-yl]-2-propanol
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