Chem
J-GLOBAL ID：200907046139830350   Nikkaji number：J13.920C

Rishitin

リシチン
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： C14H22O2
Molecular formula furigana： C14-H22-O2
Molecular weight： 222.328
InChI： InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1
InChI key： XSCYYIVXGBKTOC-GZZJDILISA-N
SMILES： C[C@@H]1[C@@H](O)[C@H](O)CC2=C1C[C@@H](CC2)C(=C)C
Systematic name  (3)：
  • (1S)-1,2,3,4,5,6,7,8-オクタヒドロ-1-メチル-7β-(1-メチルエテニル)-2β,3α-ナフタレンジオール
  • (1S,2R,3R,7R)-1-メチル-7-(プロパ-1-エン-2-イル)-1,2,3,4,5,6,7,8-オクタヒドロナフタレン-2,3-ジオール
  • (1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
Other name (5)：
  • リシチン
  • Rishitin
  • (1S)-1,2,3,4,5,6,7,8-Octahydro-1-methyl-7β-(1-methylethenyl)-2β,3α-naphthalenediol
  • (-)-リシチン
  • (-)-Rishitin
CAS registry number： 18178-54-6
KEGG COMPOUND： C09715
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