Chem
J-GLOBAL ID：200907068610498357   Nikkaji number：J710.132E

Trichotriol

トリコトリオール
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： C15H24O4
Molecular formula furigana： C15-H24-O4
Molecular weight： 268.353
InChI： InChI=1S/C15H24O4/c1-12(4-6-13(2,18)7-5-12)14(3)8-10(16)11(17)15(14)9-19-15/h4,6,10-11,16-18H,5,7-9H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1
InChI key： FPANWDWGPATUTH-LACSLYJWSA-N
SMILES： C[C@@]1(C[C@@H](O)[C@@H](O)[C@]21CO2)[C@@]1(C)CC[C@@](C)(O)C=C1
Systematic name  (3)：
  • (3S,4R,5R,7R)-7-[(1S,4R)-4-ヒドロキシ-1,4-ジメチル-2-シクロヘキセニル]-7-メチル-1-オキサスピロ[2.4]ヘプタン-4,5-ジオール
  • (3S,4R,5R,7R)-7-[(1S,4R)-4-ヒドロキシ-1,4-ジメチルシクロヘキサ-2-エン-1-イル]-7-メチル-1-オキサスピロ[2.4]ヘプタン-4,5-ジオール
  • (3S,4R,5R,7R)-7-[(1S,4R)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Other name (3)：
  • トリコトリオール
  • Trichotriol
  • (3S,4R,5R,7R)-7-[(1S,4R)-4-Hydroxy-1,4-dimethyl-2-cyclohexenyl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
CAS registry number： 109890-37-1
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