Chem
J-GLOBAL ID：200907079248603203   Nikkaji number：J435.339K

Okaramine A

オカラミンA
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： C32H32N4O3
Molecular formula furigana： C32-H32-N4-O3
Molecular weight： 520.633
InChI： InChI=1S/C32H32N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-17,25,29,33,39H,1,18H2,2-5H3/b16-15?,24-17-/t25-,29-,32-/m1/s1
InChI key： XOYCJCSLHCTYSV-KSBQHDFRSA-N
SMILES： CC(C)(C=C)N1[C@H]2N3[C@H](C[C@@]2(O)c2ccccc12)C(=O)N1C=CC(C)(C)c2[nH]c4ccccc4c2C=C1C3=O
Systematic name  (4)：
  • (10aR)-16-(1,1-ジメチル-2-プロペニル)-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
  • (10aR,10aα,16aα)-16-(1,1-ジメチル-2-プロペニル)-11,11a,16,16a-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-5-(2-メチルブタ-3-エン-2-イル)-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-5-(2-methylbut-3-en-2-yl)-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 (4)：
  • オカラミンA
  • Okaramine A
  • (10aR,10aα,16aα)-16-(1,1-Dimethyl-2-propenyl)-11,11a,16,16a-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
  • (10aR)-16-(1,1-Dimethyl-2-propenyl)-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
CAS registry number： 115444-43-4
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