Chem
J-GLOBAL ID:200907010755834268   Nikkaji number:J1.735.771I

1-[(1Z,4S)-4-(2-Hydroxy-4-methoxy-6-bromobenzoyloxy)-1-pentenyl]-1-O-(4-methoxybenzyl)-2-O,3-O-isopropylidene-4-ethynyl-4-deoxy-L-erythritol

1-[(1Z,4S)-4-(2-ヒドロキシ-4-メトキシ-6-ブロモベンゾイルオキシ)-1-ペンテニル]-1-O-(4-メトキシベンジル)-2-O,3-O-イソプロピリデン-4-エチニル-4-デオキシ-L-エリトリトール
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: C30H35BrO8
Molecular formula furigana: C30-H35-BR-O8
Molecular weight: 603.506
InChI: InChI=1S/C30H35BrO8/c1-7-9-26-28(39-30(3,4)38-26)25(36-18-20-12-14-21(34-5)15-13-20)11-8-10-19(2)37-29(33)27-23(31)16-22(35-6)17-24(27)32/h1,8,11-17,19,25-26,28,32H,9-10,18H2,2-6H3/b11-8-/t19-,25+,26-,28+/m0/s1
InChI key: KUXKNQMTKDGYGG-JSWKZFLUSA-N
SMILES: COc1ccc(CO[C@H](/C=C\C[C@H](C)OC(=O)c2c(O)cc(OC)cc2Br)[C@H]2OC(C)(C)O[C@H]2CC#C)cc1
Systematic name  (3):
  • 1-[(1Z,4S)-4-(2-ヒドロキシ-4-メトキシ-6-ブロモベンゾイルオキシ)-1-ペンテニル]-1-O-(4-メトキシベンジル)-2-O,3-O-イソプロピリデン-4-エチニル-4-デオキシ-L-エリトリトール
  • (2S,4Z,6R)-6-[(4S,5S)-2,2-ジメチル-5-(プロパ-2-イン-1-イル)-1,3-ジオキソラン-4-イル]-6-[(4-メトキシフェニル)メトキシ]ヘキサ-4-エン-2-イル 2-ブロモ-6-ヒドロキシ-4-メトキシベンゾアート
  • (2S,4Z,6R)-6-[(4S,5S)-2,2-dimethyl-5-(prop-2-yn-1-yl)-1,3-dioxolan-4-yl]-6-[(4-methoxyphenyl)methoxy]hex-4-en-2-yl 2-bromo-6-hydroxy-4-methoxybenzoate
Other name (1):
  • 1-[(1Z,4S)-4-(2-Hydroxy-4-methoxy-6-bromobenzoyloxy)-1-pentenyl]-1-O-(4-methoxybenzyl)-2-O,3-O-isopropylidene-4-ethynyl-4-deoxy-L-erythritol
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