Chem
J-GLOBAL ID：200907039726035990   Nikkaji number：J619.704C

(3S,3aS,6S,7Z,10E,12aS)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-2,3,3a,4,6,9,12,12a-octahydrocyclopentacycloundecen-5(1H)-one

(3S,3aS,6S,7Z,10E,12aS)-3-ヒドロキシ-3-イソプロピル-6,10,12a-トリメチル-2,3,3a,4,6,9,12,12a-オクタヒドロシクロペンタシクロウンデセン-5(1H)-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： C20H32O2
Molecular formula furigana： C20-H32-O2
Molecular weight： 304.474
InChI： InChI=1S/C20H32O2/c1-14(2)20(22)12-11-19(5)10-9-15(3)7-6-8-16(4)17(21)13-18(19)20/h6,8-9,14,16,18,22H,7,10-13H2,1-5H3/b8-6-,15-9+/t16-,18-,19+,20-/m0/s1
InChI key： AQENECCHXKWCKP-NSSLHMEASA-N
SMILES： CC(C)[C@@]1(O)CC[C@@]2(C)C/C=C(\C)/C/C=C\[C@H](C)C(=O)C[C@H]12
Systematic name  (3)：
  • (3S,3aS,6S,7Z,10E,12aS)-3-ヒドロキシ-3-イソプロピル-6,10,12a-トリメチル-2,3,3a,4,6,9,12,12a-オクタヒドロシクロペンタシクロウンデセン-5(1H)-オン
  • (3S,3aS,6S,12aS)-3-ヒドロキシ-6,10,12a-トリメチル-3-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,6H,9H,12H,12aH-シクロペンタ[11]アンヌレン-5-オン
  • (3S,3aS,6S,12aS)-3-hydroxy-6,10,12a-trimethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,6H,9H,12H,12aH-cyclopenta[11]annulen-5-one
Other name (1)：
  • (3S,3aS,6S,7Z,10E,12aS)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-2,3,3a,4,6,9,12,12a-octahydrocyclopentacycloundecen-5(1H)-one
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