Chem
J-GLOBAL ID:200907019071629034   Nikkaji number:J17.245F

Kobusine

コブシン
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: C20H27NO2
Molecular formula furigana: C20-H27-N-O2
Molecular weight: 313.441
InChI: InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17-,18+,19+,20-/m1/s1
InChI key: SYQIMSBCRURKCZ-ACMRJPCYSA-N
SMILES: C[C@@]12CN3[C@H]4C[C@@]56[C@@H]7C[C@@H]([C@H](O)[C@H]5[C@@](CCC1)([C@H]37)[C@@H]24)C(=C)[C@H]6O
Systematic name  (3):
  • ヘチサン-11β,15β-ジオール
  • (1S,5R,8R,9S,11R,13R,14R,16S,17R,18S,19S)-5-メチル-12-メチリデン-7-アザヘプタシクロ[9.6.2.01,8.05,17.07,16.09,14.014,18]ノナデカン-13,19-ジオール
  • (1S,5R,8R,9S,11R,13R,14R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
Other name (3):
  • コブシン
  • Kobusine
  • Hetisan-11β,15β-diol
CAS registry number: 27530-78-5
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