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    首页 分子通 methyl (15S)-15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.02,15.05,13.06,11]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

    methyl (15S)-15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.02,15.05,13.06,11]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 沃巴桑生物碱
    中文名称
    ——
    中文别名
    ——
    英文名称
    methyl (15S)-15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.02,15.05,13.06,11]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
    英文别名
    ——
    methyl (15S)-15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.02,15.05,13.06,11]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate化学式
    CAS
    ——
    化学式
    C44H56N4O5
    mdl
    ——
    分子量
    720.9
    InChiKey
    ABJYICNGIWOJHA-CPJRDHPNSA-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)：
      7.3
    • 重原子数：
      53
    • 可旋转键数：
      9
    • 环数：
      10.0
    • sp3杂化的碳原子比例：
      0.59
    • 拓扑面积：
      99.9
    • 氢给体数：
      2
    • 氢受体数：
      7

    同类化合物

    甲基(5E)-5-亚乙基-8-羰基-2,3,4,5,6,7,8,9-八氢-1H-2,6-亚甲基吖癸英并[5,4-b]吲哚-14-羧酸酯盐酸 Methyl 3-oxovobasan-17-oate (-)-Tabernemontanine Tabernaemontanin hydrochloride 16-Epidregamine hydrochloride Dregamine, hydrochloride Perivinol dregamine tabernaemontanine Affinine methyl 11-acetyloxy-12-ethyl-4-[(15E)-15-ethylidene-18-methoxycarbonyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate methyl (1S,12S,15E,16R)-15-ethylidene-6-methoxy-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4(9),5,7-tetraene-13-carboxylate Vobasan-17-oic acid, 3-oxo-, methyl ester Perivine sulfate Epi-16 ochropamine chlorhydrate Methyl 3-acetyl-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-8-oxo-2,6-methano-1H-azecino(5,4-b)indole-14-carboxylate ochropine O-Acetylvincadiffin gelsempervine-A (19Z)-Anhydrovobasinediol (3R)-3,17-epoxy-vobasane Epi-16-Perivin methyl (1S,14R,15Z,18S)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate perivine vobasinediol affinine benzyl (1S,12S,14R,15E,18S)-15-ethylidene-12-hydroxy-18-[tri(propan-2-yl)silyloxymethyl]-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-17-carboxylate Periformyline Vobasan-17-oic acid, 3-oxo-, methyl ester, (16R)- 2,2,2-trichloroethyl (1S,12S,15E,16R)-15-ethylidene-6-methoxy-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4(9),5,7-tetraene-13-carboxylate Tabernaemontanin Vobasin methyl (1R,14R,15E)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate (15E)-15-ethylidene-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4,6,8-tetraene 3-Oxovobasan-17-oic acid, methyl ester methyl (15Z)-15-ethylidene-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate methyl (1S,14R,15E,18R)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate 20-Epi-19,20-dihydro-decarbomethoxy vobasine Vobasan Epi-16-Ochropamin methyl (1R,14R,15R,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate (15E)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one methyl (1S,14S,15E,18S)-15-ethylidene-17-methyl-17-oxido-12-oxo-10-aza-17-azoniatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate (1R,14R,18S)-15-ethylidene-17,18-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene methyl 15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;hydrochloride methyl (12R,13R,15S,17S)-13-ethyl-5-[(1S,12S,14R,15E,18S)-15-ethylidene-18-(hydroxymethyl)-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-4-methoxy-1,11-diazapentacyclo[13.3.1.02,7.08,18.012,17]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate Vobasivindoline Methyl (1S,15E)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate methyl (1S,12S,15E)-15-ethylidene-12-hydroxy-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Pagicerine

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