Chem
J-GLOBAL ID：200907058262101426   Nikkaji number：J18.725I

Callitrin

カリトリン
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： C15H22O2
Molecular formula furigana： C15-H22-O2
Molecular weight： 234.339
InChI： InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
InChI key： HHMGIPSZHRMYCD-HVNMYJMUSA-N
SMILES： C[C@@H]1[C@H]2C[C@H](C(=C)C)[C@](C)(C[C@H]2OC1=O)C=C
Systematic name  (3)：
  • (3R)-3aα,4,5,6,7,7aα-ヘキサヒドロ-6β-ビニル-3α,6-ジメチル-5α-(1-メチルエテニル)ベンゾフラン-2(3H)-オン
  • (3R,3aR,5R,6R,7aR)-6-エテニル-3,6-ジメチル-5-(プロパ-1-エン-2-イル)-オクタヒドロ-1-ベンゾフラン-2-オン
  • (3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-octahydro-1-benzofuran-2-one
Other name (3)：
  • カリトリン
  • Callitrin
  • (3R)-3aα,4,5,6,7,7aα-Hexahydro-6β-vinyl-3α,6-dimethyl-5α-(1-methylethenyl)benzofuran-2(3H)-one
CAS registry number： 66964-63-4
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