Chem
J-GLOBAL ID:200907019071629034
Nikkaji number:J17.245F
Kobusine
コブシン
Download MOL file
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:
C20 H27 NO2
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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