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玫瑰鞣质A | 84744-48-9

中文名称
玫瑰鞣质A
中文别名
4-p-甲苯甲酰丁酸
英文名称
rugosin A
英文别名
3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]benzoic acid
玫瑰鞣质A化学式
CAS
84744-48-9
化学式
C48H34O31
mdl
——
分子量
1106.78
InChiKey
OMQLRKHSGHBOQC-DQLQDYHGSA-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

物化性质

  • 沸点:
    1643.1±65.0 °C(Predicted)
  • 密度:
    2.19±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.7
  • 重原子数:
    79
  • 可旋转键数:
    12
  • 环数:
    8.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    531
  • 氢给体数:
    18
  • 氢受体数:
    31

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    虾子花鞣质A Woodfordin A 127243-65-6 C75H56O48 1725.24
    —— rugosin D 100897-76-5 C82H58O52 1875.33
    —— prostratin C 130780-26-6 C48H32O30 1088.76
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    —— tellimagrandin II 58970-75-5 C41H30O26 938.674

反应信息

  • 作为反应物:
    参考文献:
    名称:
    HATANO, TSUTOMU;OGAWA, NOBORU;YASUHARA, TAEKO;OKUDA, TAKUO, CHEM. AND PHARM. BULL., 38,(1990) N2, C. 3308-3313
    摘要:
    DOI:
  • 作为产物:
    描述:
    [(10R,11S,12R,13S,15R)-3,4,5,24,25,26,32-heptahydroxy-8,18,29-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-13-(3,4,5-trihydroxyphenoxy)-9,14,17,22,30-pentaoxahexacyclo[17.13.0.02,7.010,15.021,31.023,28]dotriaconta-1(32),2,4,6,19,21(31),23,25,27-nonaen-11-yl] 3,4,5-trihydroxybenzoate 生成 玫瑰鞣质A
    参考文献:
    名称:
    YOSHIDA, TAKASHI;NAMBA, OSAMU;CHEN, LING;LIU, YANZE;OKUDA, TAKUO, CHEM. AND PHARM. BULL., 38,(1990) N2, C. 3296-3302
    摘要:
    DOI:
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文献信息

  • Tannins and related polyphenols of euphorbiaceous plants. Part VI. Ellagitannin monomers and oligomers from Euphorbia prostrata Ait. and oligomers from Loropetalum chinense Oliv.
    作者:Takashi YOSHIDA、Osamu NAMBA、Ling CHEN、Yanze LIU、Takuo OKUDA
    DOI:10.1248/cpb.38.3296
    日期:——
    Three new ellagitannins, prostratins A, B and C, along with eleven known polyphenols including three hydrolyzable tannin oligomers (rugosins D, E and G), have been isolated from the leaves of Euphorbia prostrata AIT. A hydrolyzable tannin trimer, prostatin B, and two dimers, rugosins D and E, were also obtained from the leaves of Loropetalum Chinense OLIV.
    从大戟科植物大戟(Euphorbia prostrata AIT)的叶子中分离出了三种新的鞣花丹宁(前列素 A、B 和 C)以及 11 种已知的多酚,其中包括三种可水解单宁低聚物(鞣花丹宁 D、E 和 G)。此外,还从 Loropetalum Chinense OLIV 的叶片中获得了一种可水解单宁三聚体(前列素 B)和两种二聚体(豚草素 D 和 E)。
  • Woodfordin C, a macro-ring hydrolyzable tannin dimer with antitumor activity, and accompanying dimers from Woodfordia fruticosa flowers.
    作者:Takashi YOSHIDA、Tong CHOU、Aya NITTA、Ken-ichi MIYAMOTO、Ryozo KOSHIURA、Takuo OKUDA
    DOI:10.1248/cpb.38.1211
    日期:——
    Three new dimeric hydrolyzable tannins, woodfordins A, B and C, along with seven known hydrolyzable tannins, including oenothein B, a dimer exhibiting marked host-mediated antitumor activity, were isolated from an Indonesian crude drug, Sidowayah [dried flowers of Woodfordia fruticosa (L.) Kurz (Lythraceae)]. The structures of the new tannins were elucidated based on chemical and spectral evidence
    从印尼粗制药物Sidowayah中分离了三种新的二聚体可水解单宁,伍德福德素A,B和C,以及7种已知的可水解单宁,其中Oenothein B是一种具有明显的宿主介导的抗肿瘤活性的二聚体。 L.)Kurz(Lythraceae)]。基于化学和光谱证据阐明了新单宁的结构。具有大环结构的Woodfordin C也被发现具有显着的抗肿瘤活性。
  • Tannis of Coriaria japonica A. Gray.III. Structures of Coriariins G, H, I and J.
    作者:Tsutomu HATANO、Rieko YOSHIHARA、Shin HATTORI、Masao YOSHIZAKI、Tetsuro SHINGU、Takuo OKUDA
    DOI:10.1248/cpb.40.1703
    日期:——
    For new hydrolyzable tannins, coriariins G, H, I and J. were isolated from the leaf of Coriaria japonica (Coriariaceae). Structures 1, 2 and 3, having a sedoheptulose residue, were assigned for coriariins G, H and I, respectively. Structure 4, having a depsidone-forming dehydrodigalloyl group, was assigned for coriariin J, based on the chemical correlation with coriariin B (5). The orientation of the dehydrodigalloyl group in 5 was confirmed by 1H-13C long-range shift-correlation spectroscopy.
    对于新的水解单宁,从日本栲(栲科)的叶中分离出了栲胶素G、H、I和J。结构1、2和3具有七碳糖残基,分别被命名为栲胶素G、H和I。结构4具有形成去氢二没食子酰基的脱皮酮基团,根据与栲胶素B(5)的化学相关性,被命名为栲胶素J。1H-13C长程位移相关光谱法证实了5中脱氢二没食子酰基基团的取向。
  • Tannins of rosaceous plants. VIII. Hydrolyzable tannin monomers having a valoneoyl group from flower petals of Rosa rugosa Thunb.
    作者:Tsutomu HATANO、Noboru OGAWA、Taeko YASUHARA、Takuo OKUDA
    DOI:10.1248/cpb.38.3308
    日期:——
    Three new hydrolyzable tannins, rugosins A (1), B (2) and C (3), were isolated from flower petals of Rosa rugosa THUNB. (Rosaceae), and their structures, including the orientation of the valoneoyl group, were established based on chemical evidence and spectroscopic analysis, utilizing two-dimensional nuclear magnetic resonance spectral data.
    从玫瑰(蔷薇科)的花瓣中分离出三种新的可水解单宁,即鲁戈辛A(1)、B(2)和C(3),并利用二维核磁共振光谱数据,根据化学证据和光谱分析确定了它们的结构,包括瓦隆酰基的方向。
  • Hatano, Tsutomu; Hattori, Shin; Okuda, Takuo, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 11, p. 4533 - 4539
    作者:Hatano, Tsutomu、Hattori, Shin、Okuda, Takuo
    DOI:——
    日期:——
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