Chem
J-GLOBAL ID:202007019995999235   Nikkaji number:J3.746.442B

(1S,2S,6S,8R)-9-ヒドロキシ-3,3-ジメチルトリシクロ[6.3.0.02,6]ウンデカ-4-エン-7-オン

(1S,2S,6S,8R)-9-ヒドロキシ-3,3-ジメチルトリシクロ[6.3.0.02,6]ウンデカ-4-エン-7-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: C13H18O2
Molecular formula furigana: C13-H18-O2
Molecular weight: 206.285
InChI: InChI=1S/C13H18O2/c1-13(2)6-5-8-11(13)7-3-4-9(14)10(7)12(8)15/h5-11,14H,3-4H2,1-2H3/t7-,8+,9?,10-,11+/m1/s1
InChI key: OTNJCWWEGRFVJY-PVJAMZLWSA-N
SMILES: C1(=O)[C@H]2C(CC[C@H]2[C@H]2[C@@H]1C=CC2(C)C)O
Systematic name  (3):
  • (3aS,3bS,6aS,7aR)-1-ヒドロキシ-4,4-ジメチル-1,2,3,3a,3b,4,6a,7a-オクタヒドロ-7H-シクロペンタ[a]ペンタレン-7-オン
  • (1S,2S,6S,8R)-9-ヒドロキシ-3,3-ジメチルトリシクロ[6.3.0.02,6]ウンデカ-4-エン-7-オン
  • (1S,2S,6S,8R)-9-hydroxy-3,3-dimethyltricyclo[6.3.0.02,6]undec-4-en-7-one
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