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    首页 分子通 methyl (1S,9R,16R,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

    methyl (1S,9R,16R,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 白坚木瑞亭生物碱
    中文名称
    ——
    中文别名
    ——
    英文名称
    methyl (1S,9R,16R,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
    英文别名
    ——
    methyl (1S,9R,16R,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate化学式
    CAS
    ——
    化学式
    C23H28N2O3
    mdl
    ——
    分子量
    380.5
    InChiKey
    GWYVXPNMQFBXRS-GIFBIUIXSA-N
    BEILSTEIN
    ——
    EINECS
    ——
    • 物化性质
    • 计算性质
    • ADMET
    • 安全信息
    • SDS
    • 制备方法与用途
    • 上下游信息
    • 反应信息
    • 文献信息
    • 表征谱图
    • 同类化合物
    • 相关功能分类
    • 相关结构分类

    计算性质

    • 辛醇/水分配系数(LogP)：
      2.3
    • 重原子数：
      28
    • 可旋转键数：
      2
    • 环数：
      7.0
    • sp3杂化的碳原子比例：
      0.65
    • 拓扑面积：
      49.8
    • 氢给体数：
      0
    • 氢受体数：
      4

    同类化合物

    蕊木宁F 蕊木宁 柯蒲木酮碱 夾竹桃鹼 (3aR,5R,5aR,10bR,13aS)-6-甲酰基-2,3,4,5,11,12-六氢-6H,13ah-3a,5a-乙桥-1H-吲哚嗪并[8,1-cd]咔唑-5-羧酸甲酯 (2a,3b,5a,6a,7a,20S)-6,7-环氧-20-羟基-白坚木替宁-3-羧酸甲酯 (2R,5S)-6alpha,7alpha-环氧白坚木替宁-3beta-羧酸甲酯 (2R,5R)-6,7-二去氢白坚木替宁-3beta-羧酸甲酯 16-epi-19-oxokopsinine methyl carbamate (+/-)-16-epi-19-R-mesyloxykopsinine 16-epi-19-oxokopsinine (+/-)-16-epi-19-R-hydroxykopsinine (-)-Norpleiomutine 16,17-Didehydro-5-oxo-18-(phenylsulfonyl)aspidofractinine N(1)-methyl-14,15-didehydroaspidofractinine Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- Methyl 1-formyl-17-methoxyaspidofractinine-21-carboxylate methyl (1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate N(a),3β-Dimethoxycarbonyl-aspidofraktinin (+/-)-aspidofractinine aspidofractinin-4(or 20)-one 17-oxoaspidofractinine (+/-)-N-methyl-aspidofractinine Kopsinylalkohol aspidofractinine N1-acetylcopsinine methyl (1S,2R,4S,9R,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate methyl (1R,9R,16S,18R,21S)-6-[(15R,17R,19S)-15-(1-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate 5-oxoaspidofractinine methyl (1S,9R,16R,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1S,9R,16S,18R,21S)-2-acetyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate (1S,9S,16R,18S,21S)-2-methoxycarbonyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylic acid (1S,9R,16R,18S,21S)-2-methoxycarbonyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylic acid methyl (1R,9R,16S,18S,21R)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate methyl (1S,9R,16R,18S,21S)-11-oxo-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1S,9R,16R,18S,21S)-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1S,9S,16S,18S,21S)-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate dimethyl (1S,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate methyl (1S,9R,16R,18R,21S)-12-ethyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1S,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1R,4R,12R,13S,16S)-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylate methyl (1R,4R,12R,13S,16R)-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylate methyl (1R,9R,12S,16R,18R,21R)-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1S,9R,16S,18S,21R)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate Kopsan methyl (1S,9S,16S,18R,21R)-2-acetyl-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate dimethyl (1S,9R,16S,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate methyl (1S,9S,16S,18S,21R)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate methyl (1S,9R,16S,18R,21S)-12-methyl-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate methyl (1R,9S,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

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