Chem
J-GLOBAL ID：200907059549372451   Nikkaji number：J1.062.400B

Okaramine I

オカラミンI
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： C27H24N4O3
Molecular formula furigana： C27-H24-N4-O3
Molecular weight： 452.514
InChI： InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11?,20-13-/t21-,25+,27-/m1/s1
InChI key： CTRNZLRKISVIAG-AOBFMKPNSA-N
SMILES： CC1(C)C=CN2C(=O)[C@H]3C[C@]4(O)[C@@H](Nc5ccccc45)N3C(=O)C2=Cc2c1[nH]c1ccccc21
Systematic name  (3)：
  • (10aR)-11,11a,16,16aα-テトラヒドロ-11aα-ヒドロキシ-6,6-ジメチル-5H-インドロ[3′′′,2′′′:4′′,5′′]ピロロ[1′′,2′′:4′,5′]ピラジノ[1′,2′:1,2]アゾシノ[5,4-b]インドール-10,18(6H,10aH)-ジオン
  • (1Z,4S,12R,14R)-12-ヒドロキシ-19,19-ジメチル-3,5,16,21-テトラアザヘプタシクロ[14.13.0.03,14.04,12.06,11.020,28.022,27]ノナコサ-1(29),6,8,10,17,20(28),22,24,26-ノナエン-2,15-ジオン
  • (1Z,4S,12R,14R)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetraazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
Other name (3)：
  • (10aR)-11,11a,16,16aα-Tetrahydro-11aα-hydroxy-6,6-dimethyl-5H-indolo[3′′′,2′′′:4′′,5′′]pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,2]azocino[5,4-b]indole-10,18(6H,10aH)-dione
  • オカラミンI
  • Okaramine I
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