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13-cis-β-carotene | 6811-73-0

中文名称
——
中文别名
——
英文名称
13-cis-β-carotene
英文别名
(13Z)-β-carotene;(13Z)-beta-Carotene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
13-cis-β-carotene化学式
CAS
6811-73-0
化学式
C40H56
mdl
——
分子量
536.885
InChiKey
OENHQHLEOONYIE-MZMZTKINSA-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

  • 熔点:
    166 °C
  • 沸点:
    654.7±22.0 °C(Predicted)
  • 密度:
    0.941±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    13.5
  • 重原子数:
    40
  • 可旋转键数:
    10
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.45
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    0

安全信息

  • 海关编码:
    2915900090

SDS

SDS:518538b04cddd2caac7f84af7754a8cd
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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

反应信息

  • 作为反应物:
    描述:
    9'Z-neochrome 、 13-cis-β-carotene 、 、 neoxanthin 、 、 链孢霉黄素Neurosporaxanthin-methylester(6E,8E,10Z,12E,14Z,16E,18Z,20E,22E,26E)-2,6,10,14,19,23,27,31-八甲基三十二碳-2,6,8,10,12,14,16,18,20,22,26,30-十二烯 、 (E)-4-[(5S)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-4,6,6-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol 、 、 降红木素|降胭脂树橙标准品 、 nostoxanthin 生成 Lactucaxanthin
    参考文献:
    名称:
    Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease
    摘要:
    一种抑制和/或改善与反应性氧化物种、反应性氮物种、自由基和/或非自由基有关的疾病发生的方法,其中给予受试者类胡萝卜素类似物或衍生物,单独或与另一类胡萝卜素类似物或衍生物或共同抗氧化剂配方结合使用。该类似物或衍生物的给予使得受试者发生与反应性氧化物种、反应性氮物种、自由基和/或非自由基有关的疾病的风险减少。该类似物或类似物组合可用于抑制和/或改善任何涉及反应性氧化物种、反应性氮物种、自由基和/或非自由基产生的疾病。在某些实施例中,该发明可能包括包括类胡萝卜素类似物或衍生物的药物组合物。类胡萝卜素类似物可能包括具有7到14个双键的共轭多烯。共轭多烯可能包括至少一个取代基的环状环。在某些实施例中,类胡萝卜素类似物或衍生物的环状环中可能包括至少一个取代基。该取代基可能通过醚功能与环状环耦合。在某些实施例中,药物组合物可能包括生物学上不活性的载体。该药物组合物可能适用于人类受试者的给予。
    公开号:
    US07375133B2
  • 作为产物:
    参考文献:
    名称:
    Sulfone Coupling and Double-Elimination Strategy for Carotenoid Synthesis
    摘要:
    A highly efficient synthetic method of carotenoid compounds has been developed on the basis of the sulfone coupling and double-elimination strategy. This method highlighted the sulfone-mediated coupling with the novel C-10 dialdehyde, 2,7-dimethyl-4-octenedial, which was easily prepared and efficiently utilized in the synthesis of the conjugated polyene chains.
    DOI:
    10.1021/jo0516335
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文献信息

  • Preparation of 9<i>Z</i>-β-Carotene and 9<i>Z</i>-β-Carotene High-Loaded Nanostructured Lipid Carriers: Characterization and Storage Stability
    作者:Cheng Yang、Hongxiao Yan、Xin Jiang、Huaneng Xu、Rong Tsao、Lianfu Zhang
    DOI:10.1021/acs.jafc.0c02342
    日期:2020.11.25
    Z-β-carotenes was as high as 53.3%, the particle size was 191 ± 6.46 nm, and the polydispersity index was 0.2 ± 0.03. Storage stability results indicated that the β-carotene-loaded NLC stabilizes both 9Z-β-carotene and total β-carotene from leakage and degradation during 21 days of storage at pH 3.5–7.5 at low temperatures (4 °C), especially for the more bioactive 9Z-β-carotene. The technique with an improved
    制备具有25.3%9 Z -β-胡萝卜素的顺式(Z)-β-胡萝卜素,用于纳米结构脂质载体(NLC)。使用正交实验方法制备NLC的最佳条件如下:总脂质浓度为9%(w / v),表面活性剂浓度为1.4%(w / v),固液脂质比为3:1 (w / w),并且将均质压力设置在500 bar下进行三个循环。在这些条件下,NLC的包封率(%)为95.64%,NLC中的总β-胡萝卜素为2.9 mg / mL,明显高于其他人报道的值。占Z的比例-β-胡萝卜素高达53.3%,粒径为191±6.46 nm,多分散指数为0.2±0.03。储存稳定性结果表明,在低温(4°C)下,pH为3.5-7.5的21天储存期间,负载β-胡萝卜素的NLC稳定了9 Z -β-胡萝卜素和总β-胡萝卜素的泄漏和降解。具有更高生物活性的9 Z -β-胡萝卜素。改进的9 Z -β-胡萝卜素比例,负载能力,水溶性和β-胡萝卜素NLC的生
  • Semiconductor Photocatalysis:  Photodegradation and Trans−Cis Photoisomerization of Carotenoids
    作者:Guoqiang Gao、Yi Deng、Lowell D. Kispert
    DOI:10.1021/jp980326i
    日期:1998.5.1
    In the presence of semiconductor CdS or ZnO particles, irradiation (>350 nm) of all-trans-beta-carotene (II) in dichloromethane leads to rapid degradation of the carotenoid, which is relatively stable in the absence of the semiconductors. Canthaxanthin (I), however, undergoes significant photocatalyzed degradation only on ZnO, not on CdS. High-performance liquid chromatographic studies indicate that CdS catalyzes trans-cis photoisomerization of both I and II. As in the photoisomerization in the absence of semiconductor, the major cis isomers have the 9-cis and 13-cis configuration, but, under otherwise the same condition, the ratio of cis/trans isomers has doubled. In contrast to CdS, ZnO does not catalyze the photoisomerization of either I or II, although it enhances their rate of degradation. A photoisomerization mechanism involving carotenoid radicals formed by reaction with interstitial sulfur on the CdS surface is proposed.
  • MARTY, CLAIRE;BERSET, CLAUDETTE, J. AGR. AND FOOD CHEM., 38,(1990) N, C. 1063-1067
    作者:MARTY, CLAIRE、BERSET, CLAUDETTE
    DOI:——
    日期:——
  • Sulfone Coupling and Double-Elimination Strategy for Carotenoid Synthesis
    作者:Samar Kumar Guha、Sangho Koo
    DOI:10.1021/jo0516335
    日期:2005.11.1
    A highly efficient synthetic method of carotenoid compounds has been developed on the basis of the sulfone coupling and double-elimination strategy. This method highlighted the sulfone-mediated coupling with the novel C-10 dialdehyde, 2,7-dimethyl-4-octenedial, which was easily prepared and efficiently utilized in the synthesis of the conjugated polyene chains.
  • Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease
    申请人:Cardax Pharmaceuticals, Inc.
    公开号:US07375133B2
    公开(公告)日:2008-05-20
    A method for inhibiting and/or ameliorating the occurrence of diseases associated with reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals in a subject whereby a subject is administered a carotenoid analog or derivative, either alone or in combination with another carotenoid analog or derivative, or co-antioxidant formulation. The analog or derivative is administered such that the subject's risk of experiencing diseases associated with reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals may be thereby reduced. The analog or analog combination may be administered to a subject for the inhibition and/or amelioration of any disease that involves production of reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals. In some embodiments, the invention may include a pharmaceutical composition including a carotenoid analog or derivative. The carotenoid analog may include a conjugated polyene with between 7 to 14 double bonds. The conjugated polyene may include a cyclic ring including at least one substituent. In some embodiments, a cyclic ring of a carotenoid analog or derivative may include at least one substituent. The substituent may be coupled to the cyclic ring with an ether functionality. In some embodiments, a pharmaceutical composition may include a biologically inactive carrier. The pharmaceutical composition may be adapted to be administered to a human subject.
    一种抑制和/或改善与反应性氧化物种、反应性氮物种、自由基和/或非自由基有关的疾病发生的方法,其中给予受试者类胡萝卜素类似物或衍生物,单独或与另一类胡萝卜素类似物或衍生物或共同抗氧化剂配方结合使用。该类似物或衍生物的给予使得受试者发生与反应性氧化物种、反应性氮物种、自由基和/或非自由基有关的疾病的风险减少。该类似物或类似物组合可用于抑制和/或改善任何涉及反应性氧化物种、反应性氮物种、自由基和/或非自由基产生的疾病。在某些实施例中,该发明可能包括包括类胡萝卜素类似物或衍生物的药物组合物。类胡萝卜素类似物可能包括具有7到14个双键的共轭多烯。共轭多烯可能包括至少一个取代基的环状环。在某些实施例中,类胡萝卜素类似物或衍生物的环状环中可能包括至少一个取代基。该取代基可能通过醚功能与环状环耦合。在某些实施例中,药物组合物可能包括生物学上不活性的载体。该药物组合物可能适用于人类受试者的给予。
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同类化合物

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