Chem
J-GLOBAL ID：200907069820612523   Nikkaji number：J1.625.888A

Benzoic acid (4R,4aα,12aα)-1-methylene-4α-isopropyl-6,10-dimethyl-9-oxo-10α-hydroxy-5β,12β-epoxytetradecahydrobenzocyclodecene-6α-yl ester

安息香酸(4R,4aα,12aα)-1-メチレン-4α-イソプロピル-6,10-ジメチル-9-オキソ-10α-ヒドロキシ-5β,12β-エポキシテトラデカヒドロベンゾシクロデセン-6α-イル
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： C27H36O5
Molecular formula furigana： C27-H36-O5
Molecular weight： 440.580
InChI： InChI=1S/C27H36O5/c1-16(2)19-12-11-17(3)22-20-15-26(4,30)21(28)13-14-27(5,24(31-20)23(19)22)32-25(29)18-9-7-6-8-10-18/h6-10,16,19-20,22-24,30H,3,11-15H2,1-2,4-5H3/t19-,20-,22-,23-,24-,26-,27-/m1/s1
InChI key： LFESUIVBSSTMIV-TUKPJXIOSA-N
SMILES： CC(C)[C@H]1CCC(=C)[C@@H]2[C@H]3C[C@@](C)(O)C(=O)CC[C@@](C)(OC(=O)c4ccccc4)[C@H](O3)[C@H]12
Systematic name  (3)：
  • 安息香酸(4R,4aα,12aα)-1-メチレン-4α-イソプロピル-6,10-ジメチル-9-オキソ-10α-ヒドロキシ-5β,12β-エポキシテトラデカヒドロベンゾシクロデセン-6α-イル
  • (1R,2R,6R,7R,8R,9R,13R)-13-ヒドロキシ-9,13-ジメチル-3-メチリデン-12-オキソ-6-(プロパン-2-イル)-15-オキサトリシクロ[6.6.1.02,7]ペンタデカン-9-イル ベンゾアート
  • (1R,2R,6R,7R,8R,9R,13R)-13-hydroxy-9,13-dimethyl-3-methylidene-12-oxo-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl benzoate
Other name (1)：
  • Benzoic acid (4R,4aα,12aα)-1-methylene-4α-isopropyl-6,10-dimethyl-9-oxo-10α-hydroxy-5β,12β-epoxytetradecahydrobenzocyclodecene-6α-yl ester
Thsaurus map：
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