Chem
J-GLOBAL ID：200907001992913807   Nikkaji number：J1.873.455I

2,9b-(2-Oxo-3-methyl-4-hydroxy-1-aza-3-butene-4,1-diyl)-2-ethyl-4,5α-dimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyl)-2,4aβ,5,6,8,9b-hexahydroindeno[7,1-bc]oxepin-8-one

2,9b-(2-オキソ-3-メチル-4-ヒドロキシ-1-アザ-3-ブテン-4,1-ジイル)-2-エチル-4,5α-ジメチル-6α-(2,3,6-トリデオキシ-β-D-threo-ヘキソピラノシル)-2,4aβ,5,6,8,9b-ヘキサヒドロインデノ[7,1-bc]オキセピン-8-オン
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： C26H33NO6
Molecular formula furigana： C26-H33-N-O6
Molecular weight： 455.551
InChI： InChI=1S/C26H33NO6/c1-6-25-11-12(2)22-13(3)21(19-8-7-18(29)15(5)32-19)17-9-16(28)10-20(33-25)26(17,22)27-24(31)14(4)23(25)30/h9-11,13,15,18-19,21-22,29-30H,6-8H2,1-5H3,(H,27,31)/t13-,15-,18-,19-,21+,22-,25?,26?/m1/s1
InChI key： RSCVBORTYOWHGJ-XVQHJRRFSA-N
SMILES： CCC12OC3=CC(=O)C=C4[C@H]([C@@H](C)[C@@H](C(=C1)C)C34NC(=O)C(=C2O)C)[C@H]1CC[C@@H](O)[C@@H](C)O1
Systematic name  (3)：
  • 2,9b-(2-オキソ-3-メチル-4-ヒドロキシ-1-アザ-3-ブテン-4,1-ジイル)-2-エチル-4,5α-ジメチル-6α-(2,3,6-トリデオキシ-β-D-threo-ヘキソピラノシル)-2,4aβ,5,6,8,9b-ヘキサヒドロインデノ[7,1-bc]オキセピン-8-オン
  • (4S,5S,6S)-1-エチル-16-ヒドロキシ-6-[(2R,5R,6R)-5-ヒドロキシ-6-メチルオキサン-2-イル]-3,5,15-トリメチル-17-オキサ-13-アザテトラシクロ[9.5.1.04,12.07,12]ヘプタデカ-2,7,10,15-テトラエン-9,14-ジオン
  • (4S,5S,6S)-1-ethyl-16-hydroxy-6-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]-3,5,15-trimethyl-17-oxa-13-azatetracyclo[9.5.1.04,12.07,12]heptadeca-2,7,10,15-tetraene-9,14-dione
Other name (1)：
  • 2,9b-(2-Oxo-3-methyl-4-hydroxy-1-aza-3-butene-4,1-diyl)-2-ethyl-4,5α-dimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyl)-2,4aβ,5,6,8,9b-hexahydroindeno[7,1-bc]oxepin-8-one
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