Chem
J-GLOBAL ID:200907063060336000
Nikkaji number:J2.587.943K
Isomalbrancheamide B
イソマルブランケアミドB
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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:
C21 H24 ClN3 O
Molecular formula furigana:
C21-H24-CL-N3-O
Molecular weight:
369.890
InChI:
InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
InChI key:
OLTNNHBFPVARTE-DQLDELGASA-N
SMILES:
CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc2c1[nH]c1ccc(Cl)cc21)NC4=O
Systematic name (3):
(3S,4aS,11aS)-2,3-プロパノ-5,5-ジメチル-9-クロロ-11a,3-(エピミノメタノ)-2,3,4,4a,5,6,11,11a-オクタヒドロ-1H-ピリド[4,3-b]カルバゾール-13-オン
(1S,13S,15S)-6-クロロ-12,12-ジメチル-10,19,21-トリアザヘキサシクロ[13.5.2.01,13 .03,11 .04,9 .015,19 ]ドコサ-3(11),4,6,8-テトラエン-22-オン
(1S,13S,15S)-6-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13 .03,11 .04,9 .015,19 ]docosa-3(11),4,6,8-tetraen-22-one
Other name (5):
(3S,4aS,11aS)-2,3-Propano-5,5-dimethyl-9-chloro-11a,3-(epiminomethano)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazole-13-one
(+)-イソマルブランケアミドB
(+)-Isomalbrancheamide B
Isomalbrancheamide B
イソマルブランケアミドB
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