Chem
J-GLOBAL ID:200907003873775431   Nikkaji number:J1.880.215E

(S,E)-4-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolane-4-yl]-2,2-dimethyl-1,3-dioxolane-4-yl]-4-[2-oxo-3β-methoxy-4β-[(E)-styryl]azetidine-1-yl]-2-butenoic acid methyl ester

(S,E)-4-[(4R,5R)-5-[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-[2-オキソ-3β-メトキシ-4β-[(E)-スチリル]アゼチジン-1-イル]-2-ブテン酸メチル
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: C27H35NO8
Molecular formula furigana: C27-H35-N-O8
Molecular weight: 501.576
InChI: InChI=1S/C27H35NO8/c1-26(2)33-16-20(34-26)24-22(35-27(3,4)36-24)18(14-15-21(29)31-5)28-19(23(32-6)25(28)30)13-12-17-10-8-7-9-11-17/h7-15,18-20,22-24H,16H2,1-6H3/b13-12+,15-14+/t18-,19+,20+,22+,23-,24-/m0/s1
InChI key: IBVLBFYQFAKYDJ-ZTSIICGWSA-N
SMILES: CO[C@H]1[C@@H](/C=C/c2ccccc2)N([C@@H](/C=C/C(=O)OC)[C@H]2OC(C)(C)O[C@H]2[C@H]2COC(C)(C)O2)C1=O
Systematic name  (3):
  • (S,E)-4-[(4R,5R)-5-[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-[2-オキソ-3β-メトキシ-4β-[(E)-スチリル]アゼチジン-1-イル]-2-ブテン酸メチル
  • メチル (2E,4S)-4-[(4R,5R)-5-[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-[(3S,4R)-3-メトキシ-2-オキソ-4-[(1E)-2-フェニルエテニル]アゼチジン-1-イル]ブタ-2-エノアート
  • methyl (2E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(3S,4R)-3-methoxy-2-oxo-4-[(1E)-2-phenylethenyl]azetidin-1-yl]but-2-enoate
Other name (1):
  • (S,E)-4-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolane-4-yl]-2,2-dimethyl-1,3-dioxolane-4-yl]-4-[2-oxo-3β-methoxy-4β-[(E)-styryl]azetidine-1-yl]-2-butenoic acid methyl ester
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