Chem
J-GLOBAL ID：200907078964284244   Nikkaji number：J2.676.163H

Marineosin B

マリネオシンB
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： C25H35N3O2
Molecular formula furigana： C25-H35-N3-O2
Molecular weight： 409.574
InChI： InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3/t17-,18-,23-,24-,25+/m0/s1
InChI key： JPTGQNMDWMSVSF-XOLQFJJLSA-N
SMILES： CO[C@H]1CC(=N[C@]21O[C@@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@@H]21)c1ccc[nH]1
Systematic name  (4)：
  • (1S)-3β-メチル-3′β-メトキシ-5′-(1H-ピロール-2-イル)-3,3′,4,4′,4aβ,5,6,7,8,9,10,11-ドデカヒドロ-12,15-エピミノスピロ[シクロトリデカ[c]ピラン-1(15aαH),2′-[2H]ピロール]
  • (1S,3S,3′S,4aS,15aS)-3-メチル-3′-メトキシ-5′-(1H-ピロール-2-イル)-3,3′,4,4′,4a,5,6,7,8,9,10,11-ドデカヒドロ-12,15-エピミノスピロ[シクロトリデカ[c]ピラン-1(15aH),2′-[2H]ピロール]
  • (2S,2'S,3S,5'S,7'S)-3-メトキシ-5'-メチル-5-(1H-ピロール-2-イル)-3,4-ジヒドロ-4'-オキサ-18'-アザスピロ[ピロール-2,3'-トリシクロ[13.2.1.02,7]オクタデカン]-1'(17'),15'-ジエン
  • (2S,2'S,3S,5'S,7'S)-3-methoxy-5'-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-4'-oxa-18'-azaspiro[pyrrole-2,3'-tricyclo[13.2.1.02,7]octadecane]-1'(17'),15'-diene
Other name (4)：
  • (1S)-3β-Methyl-3′β-methoxy-5′-(1H-pyrrol-2-yl)-3,3′,4,4′,4aβ,5,6,7,8,9,10,11-dodecahydro-12,15-epiminospiro[cyclotrideca[c]pyran-1(15aαH),2′-[2H]pyrrole]
  • マリネオシンB
  • Marineosin B
  • (1S,3S,3′S,4aS,15aS)-3-Methyl-3′-methoxy-5′-(1H-pyrrol-2-yl)-3,3′,4,4′,4a,5,6,7,8,9,10,11-dodecahydro-12,15-epiminospiro[cyclotrideca[c]pyran-1(15aH),2′-[2H]pyrrole]
Application (2)：
cytotoxicity ,  antitumor action
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