Chem
J-GLOBAL ID：200907070393640780   Nikkaji number：J16.345G

Pulchellidine

プルケリジン
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： C20H33NO4
Molecular formula furigana： C20-H33-N-O4
Molecular weight： 351.487
InChI： InChI=1S/C20H33NO4/c1-12-8-16-13(10-20(2)17(23)9-15(22)18(12)20)14(19(24)25-16)11-21-6-4-3-5-7-21/h12-18,22-23H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,20-/m1/s1
InChI key： UVTMIMFWBAITTB-PKNFFRRUSA-N
SMILES： C[C@@H]1C[C@@H]2OC(=O)[C@H](CN3CCCCC3)[C@H]2C[C@]2(C)[C@H](O)C[C@H](O)[C@@H]12
Systematic name  (3)：
  • (3S,3aα,7aα,9aβ)-ドデカヒドロ-5α,7α-ジヒドロキシ-4aβ,8α-ジメチル-3α-(1-ピペリジニルメチル)アズレノ[6,5-b]フラン-2-オン
  • (3S,3aR,4aS,5R,7S,7aS,8R,9aS)-5,7-ジヒドロキシ-4a,8-ジメチル-3-[(ピペリジン-1-イル)メチル]-ドデカヒドロアズレノ[6,5-b]フラン-2-オン
  • (3S,3aR,4aS,5R,7S,7aS,8R,9aS)-5,7-dihydroxy-4a,8-dimethyl-3-[(piperidin-1-yl)methyl]-dodecahydroazuleno[6,5-b]furan-2-one
Other name (3)：
  • プルケリジン
  • Pulchellidine
  • (3S,3aα,7aα,9aβ)-Dodecahydro-5α,7α-dihydroxy-4aβ,8α-dimethyl-3α-(1-piperidinylmethyl)azuleno[6,5-b]furan-2-one
CAS registry number： 23367-86-4
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