Chem
J-GLOBAL ID：200907017020738260   Nikkaji number：J1.503.925F

(3aR,6E,8R,10S,11S,12aR)-3-Isopropyl-6,10,12a-trimethyl-8-hydroxy-4,5,8,9,10,11,12,12a-octahydro-10,11-epoxycyclopentacycloundecene-1(3aH)-one

(1R,3S,5S,7R,8E,12R)-7-ヒドロキシ-1,5,9-トリメチル-13-(プロパン-2-イル)-4-オキサトリシクロ[10.3.0.03,5]ペンタデカ-8,13-ジエン-15-オン
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-12(2)15-9-17(22)19(4)11-18-20(5,23-18)10-14(21)8-13(3)6-7-16(15)19/h8-9,12,14,16,18,21H,6-7,10-11H2,1-5H3/b13-8+/t14-,16+,18-,19+,20-/m0/s1
InChI key： ZKFQUXJPKUAAGK-ATSQYCIDSA-N
SMILES： CC(C)C1=CC(=O)[C@]2(C)C[C@@H]3O[C@@]3(C)C[C@@H](O)/C=C(\C)/CC[C@H]12
Systematic name  (3)：
  • (3aR,6E,8R,10S,11S,12aR)-3-イソプロピル-6,10,12a-トリメチル-8-ヒドロキシ-4,5,8,9,10,11,12,12a-オクタヒドロ-10,11-エポキシシクロペンタシクロウンデセン-1(3aH)-オン
  • (1R,3S,5S,7R,8E,12R)-7-ヒドロキシ-1,5,9-トリメチル-13-(プロパン-2-イル)-4-オキサトリシクロ[10.3.0.03,5]ペンタデカ-8,13-ジエン-15-オン
  • (1R,3S,5S,7R,8E,12R)-7-hydroxy-1,5,9-trimethyl-13-(propan-2-yl)-4-oxatricyclo[10.3.0.03,5]pentadeca-8,13-dien-15-one
Other name (1)：
  • (3aR,6E,8R,10S,11S,12aR)-3-Isopropyl-6,10,12a-trimethyl-8-hydroxy-4,5,8,9,10,11,12,12a-octahydro-10,11-epoxycyclopentacycloundecene-1(3aH)-one
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