Chem
J-GLOBAL ID：200907050838761736   Nikkaji number：J9.689J

Celapanine

セラパニン
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： C30H35NO10
Molecular formula furigana： C30-H35-N-O10
Molecular weight： 569.607
InChI： InChI=1S/C30H35NO10/c1-16-10-11-21(37-17(2)32)29(6)25(40-27(35)20-9-7-8-13-31-20)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-26(34)19-12-14-36-15-19/h7-9,12-16,21-25H,10-11H2,1-6H3
InChI key： GINSWIMSSRAKOD-UHFFFAOYSA-N
SMILES： CC1CCC(OC(=O)C)C2(C)C(OC(=O)c3ccccn3)C(OC(=O)C)C3C(OC(=O)c4ccoc4)C12OC3(C)C
Systematic name  (3)：
  • 2-ピリジンカルボン酸4,6-ジアセトキシ-10-[(3-フリルカルボニル)オキシ]3,4,5,5a,6,7,8,9-オクタヒドロ-2,2,5a,9-テトラメチル-2H-3,9a-メタノ-1-ベンゾオキセピン-5-イル
  • 5,8-ビス(アセチルオキシ)-12-(フラン-3-カルボニルオキシ)-2,6,10,10-テトラメチル-11-オキサトリシクロ[7.2.1.01,6]ドデカン-7-イル ピリジン-2-カルボキシラート
  • 5,8-bis(acetyloxy)-12-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl pyridine-2-carboxylate
Other name (3)：
  • セラパニン
  • Celapanine
  • 2-Pyridinecarboxylic acid 4,6-diacetoxy-10-[(3-furylcarbonyl)oxy]3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester
CAS registry number： 52658-32-9
KEGG COMPOUND： C09937
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