Chem
J-GLOBAL ID:200907024844901263   Nikkaji number:J2.584.913B

Seco-milbemycin B

セコミルベマイシン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: C32H44O6
Molecular formula furigana: C32-H44-O6
Molecular weight: 524.698
InChI: InChI=1S/C32H44O6/c1-6-30-22(4)12-13-32(38-30)18-25(33)16-26(37-32)11-10-21(3)14-20(2)8-7-9-24-19-36-31(35)28-15-23(5)29(34)17-27(24)28/h7-10,15,17,20,22,25-26,30,33-34H,6,11-14,16,18-19H2,1-5H3/b8-7+,21-10+,24-9-/t20-,22-,25-,26+,30+,32+/m0/s1
InChI key: SRECUTFLUZBTIJ-WPAKPUFZSA-N
SMILES: CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H](O)C[C@@H](C/C=C(\C)/C[C@@H](C)/C=C/C=C\1/COC(=O)c3cc(C)c(O)cc13)O2
Systematic name  (4):
  • 4-[(1E,2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-8-エチル-4-ヒドロキシ-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-4,6-ジメチル-2,6-オクタジエニリデン]-6-ヒドロキシ-7-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • 4-[(1E,2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-4-ヒドロキシ-8-エチル-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-4,6-ジメチル-2,6-オクタジエニリデン]-3,4-ジヒドロ-6-ヒドロキシ-7-メチル-1H-2-ベンゾピラン-1-オン
  • (4E)-4-[(2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-8-エチル-4-ヒドロキシ-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-4,6-ジメチルオクタ-2,6-ジエン-1-イリデン]-6-ヒドロキシ-7-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • (4E)-4-[(2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-8-ethyl-4-hydroxy-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dien-1-ylidene]-6-hydroxy-7-methyl-3,4-dihydro-1H-2-benzopyran-1-one
Other name (4):
  • 4-[(1E,2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-8-Ethyl-4-hydroxy-9-methyl-1,7-dioxaspiro[5.5]undecane-2-yl]-4,6-dimethyl-2,6-octadienylidene]-6-hydroxy-7-methyl-3,4-dihydro-1H-2-benzopyran-1-one
  • セコミルベマイシンB
  • Seco-milbemycin B
  • 4-[(1E,2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-4-Hydroxy-8-ethyl-9-methyl-1,7-dioxaspiro[5.5]undecane-2-yl]-4,6-dimethyl-2,6-octadienylidene]-3,4-dihydro-6-hydroxy-7-methyl-1H-2-benzopyran-1-one
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