Chem
J-GLOBAL ID：200907080525754018   Nikkaji number：J617.931B

Debneyol

デブネヨール
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： C15H26O2
Molecular formula furigana： C15-H26-O2
Molecular weight： 238.371
InChI： InChI=1S/C15H26O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h7,11,13,16-17H,4-6,8-10H2,1-3H3/t11-,13-,14-,15-/m1/s1
InChI key： XJXXJYGANFEEDD-NMFUWQPSSA-N
SMILES： C[C@@H]1CCCC2=CC[C@H](C[C@]12C)[C@](C)(O)CO
Systematic name  (3)：
  • (S)-2-[[(2R)-1,2,3,5,6,7,8,8a-オクタヒドロ-8β,8aα-ジメチルナフタレン]-2α-イル]プロパン-1,2-ジオール
  • (2S)-2-[(2R,8R,8aR)-8,8a-ジメチル-1,2,3,5,6,7,8,8a-オクタヒドロナフタレン-2-イル]プロパン-1,2-ジオール
  • (2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]propane-1,2-diol
Other name (3)：
  • デブネヨール
  • Debneyol
  • (S)-2-[[(2R)-1,2,3,5,6,7,8,8a-Octahydro-8β,8aα-dimethylnaphthalen]-2α-yl]propane-1,2-diol
CAS registry number： 99694-82-3
KEGG COMPOUND： C09653
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