Chem
J-GLOBAL ID：200907067914258127   Nikkaji number：J1.679.241A

GKK-1032A2

GKK-1032A2
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： C32H41NO4
Molecular formula furigana： C32-H41-N-O4
Molecular weight： 503.683
InChI： InChI=1S/C32H41NO4/c1-7-30(5)14-19(4)24-23-26(30)27(34)22-16-32(36,33-29(22)35)15-20-8-10-21(11-9-20)37-28(23)25-18(3)12-17(2)13-31(24,25)6/h7-11,14,17-18,22-26,28,36H,1,12-13,15-16H2,2-6H3,(H,33,35)/t17-,18+,22-,23?,24?,25?,26+,28+,30+,31+,32-/m1/s1
InChI key： IQOSMPPPZDUYCT-WJPZQPHNSA-N
SMILES： C[C@@H]1C[C@H](C)C2[C@H]3Oc4ccc(C[C@@]5(O)C[C@@H](C(=O)N5)C(=O)[C@@H]5C3C(C(=C[C@]5(C)C=C)C)[C@]2(C)C1)cc4
Systematic name  (3)：
  • (2S,4R)-2,4-[メチレン-p-フェニレンオキシ[(1R,2S,4bS,6R,8S,9S)-2-エテニル-1,2,4a,4b,5,6,7,8,8a,9a-デカヒドロ-2,4,4b,6,8-ペンタメチル-9H-フルオレン-9,1-ジイル]カルボニル]-2-ヒドロキシ-5-ピロリジノン
  • (3S,5S,7R,9S,13S,14R,16R,19S)-13-エテニル-19-ヒドロキシ-5,7,9,11,13-ペンタメチル-2-オキサ-18-アザヘキサシクロ[19.2.2.13,10.116,19.04,9.014,27]ヘプタコサ-1(23),11,21,24-テトラエン-15,17-ジオン
  • (3S,5S,7R,9S,13S,14R,16R,19S)-13-ethenyl-19-hydroxy-5,7,9,11,13-pentamethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(23),11,21,24-tetraene-15,17-dione
Other name (3)：
  • (2S,4R)-2,4-[Methylene-p-phenyleneoxy[(1R,2S,4bS,6R,8S,9S)-2-ethenyl-1,2,4a,4b,5,6,7,8,8a,9a-decahydro-2,4,4b,6,8-pentamethyl-9H-fluorene-9,1-diyl]carbonyl]-2-hydroxy-5-pyrrolizinone
  • GKK-1032A2
  • GKK-1032A2
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