Chem
J-GLOBAL ID:200907012860529317
Nikkaji number:J12.048K
Atisine
アチシン
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:
C22 H33 NO2
Molecular formula furigana:
C22-H33-N-O2
Molecular weight:
343.511
InChI:
InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19-,20-,21-,22-/m0/s1
InChI key:
KWVIBDAKHDJCNY-PTRUQLRHSA-N
SMILES:
C[C@]12CCC[C@]3([C@@H]4OCCN4C1)[C@@H]2CC[C@@]12CC[C@@H](C[C@@H]31)C(=C)[C@H]2O
Systematic name (3):
(15R,20S)-20,21-(エポキシエタノ)-16,17-ジデヒドロ-15-ヒドロキシ-4-メチルアチダン
(1S,2R,4S,6R,7S,10R,11R,17S)-11-メチル-5-メチリデン-16-オキサ-13-アザヘキサシクロ[9.6.3.24,7 .01,10 .02,7 .013,17 ]ドコサン-6-オール
(1S,2R,4S,6R,7S,10R,11R,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7 .01,10 .02,7 .013,17 ]docosan-6-ol
Other name (5):
アチシン
アントリン
Atisine
Anthorine
(15R,20S)-20,21-(Epoxyethano)-16,17-didehydro-15-hydroxy-4-methylatidane
CAS registry number:
466-43-3
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