Chem
J-GLOBAL ID：200907049703347311   Nikkaji number：J2.608.387G

d5-Rotundone

d5-ロツンドン
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： C15H17[2H]5O
Molecular formula furigana： C15-H22-O
Molecular weight： 223.371
InChI： InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11?,12+/m0/s1/i7D2,8D2,11D
InChI key： NUWMTBMCSQWPDG-GZOABBLZSA-N
SMILES： C1([2H])([2H])C(=O)C2=C(C([2H])([2H])[C@@H](CC[C@@H]2C)C(=C)C)C1([2H])C
Systematic name  (3)：
  • 3,8α-ジメチル-5α-(1-メチルエテニル)-1,2,3,4,5,6,7,8-オクタヒドロ(2,2,3,4,4-2H5)アズレン-1-オン
  • (5R,8S)-3,8-ジメチル-5-(プロパ-1-エン-2-イル)-1,2,3,4,5,6,7,8-オクタヒドロ(2,2,3,4,4-2H5)アズレン-1-オン
  • (5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydro(2,2,3,4,4-2H5)azulen-1-one
Other name (3)：
  • 3,8α-Dimethyl-5α-(1-methylethenyl)-1,2,3,4,5,6,7,8-octahydro(2,2,3,4,4-2H5)azulene-1-one
  • d5-Rotundone
  • d5-ロツンドン
Thsaurus map：
Thesaurus Map

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