Chem
J-GLOBAL ID：200907092525913564   Nikkaji number：J2.159.089D

Brevicompanine C

ブレビコンパニンC
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： C21H27N3O2
Molecular formula furigana： C21-H27-N3-O2
Molecular weight： 353.466
InChI： InChI=1S/C21H27N3O2/c1-6-20(4,5)21-11-15-17(25)23-16(12(2)3)18(26)24(15)19(21)22-14-10-8-7-9-13(14)21/h6-10,12,15-16,19,22H,1,11H2,2-5H3,(H,23,25)/t15-,16+,19-,21+/m0/s1
InChI key： GFKUCJKLCHSSJN-JRYVEOFUSA-N
SMILES： CC(C)[C@H]1NC(=O)[C@@H]2C[C@@]3([C@@H](Nc4ccccc34)N2C1=O)C(C)(C)C=C
Systematic name  (3)：
  • (3R)-3α-イソプロピル-10bβ-(1,1-ジメチル-2-プロペニル)-5aβ,6,10b,11-テトラヒドロ-2H-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール-1,4(3H,11aαH)-ジオン
  • (1S,4R,7S,9R)-9-(2-メチルブタ-3-エン-2-イル)-4-(プロパン-2-イル)-2,5,16-トリアザテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-10,12,14-トリエン-3,6-ジオン
  • (1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(propan-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Other name (3)：
  • (3R)-3α-Isopropyl-10bβ-(1,1-dimethyl-2-propenyl)-5aβ,6,10b,11-tetrahydro-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,11aαH)-dione
  • Brevicompanine C
  • ブレビコンパニンC
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