葛雌素 | 2618-41-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 中文名称: 葛雌素
• 英文名称: Miroestrol
• 英文别名: (1S,3R,13S,16R,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one
• CAS: 2618-41-9
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.4
• InChiKey: RJKLDOLOCIQYFS-PRTISISMSA-N

物化性质

• 熔点：
  270 °C
• 沸点：
  584.1±50.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Feeds and fertilizers containing pentacyclic triterpenes
  申请人：The Nisshin OilliO, Ltd.

  公开号：US20040175447A1

  公开（公告）日：2004-09-09

  The present invention relates to a feed, a fertilizer, a melanogenesis-inhibitory agent for animals and plants and a blackening/browning-inhibitory composition for animals and plants, each comprising, as an effective component, at least one member selected from the group consisting of pentacyclic triterpenes, physiologically acceptable salts thereof and derivatives thereof, which have an excellent melanogenesis-inhibitory effect.

  本发明涉及一种饲料、一种肥料、一种动植物黑色素生成抑制剂和一种动植物黑化/褐化抑制组合物，每种均包括至少一种选自五环三萜、其生理上可接受的盐和衍生物组成的群体中的有效成分，具有出色的黑色素生成抑制效果。
• Cyclic aminomethylene bisphosphonate derivatives
  申请人：HOECHST JAPAN LIMITED

  公开号：EP0561296A1

  公开（公告）日：1993-09-22

  A compound represented by the formula (I) or the formula (II) wherein R denotes a hydrogen atom or a lower alkyl group; Y and Z may be the same or different and independently denote alkylene groups containing 2-5 carbon atoms in their alkylene chains which may be substituted with a lower alkyl(s); X denotes a single bond or an alkylene group containing 1-10 carbon atoms in its alkylene chain which may be substituted with a lower alkyl(s); A-O- denotes a residue of a compound having an estrogenic activity and q denotes an integer of 1-3, and physiologically acceptable salts thereof. The above compounds (I) or (II) are useful as a bone resorption inhibitor and a therapeutic agent for bone diseases.

  化合物的化学式为(I)或化学式(II)，其中R代表氢原子或较低的烷基基团；Y和Z可以相同也可以不同，独立地表示含有2-5个碳原子的烷基链的烷基基团，该烷基链可能被较低的烷基取代；X表示单键或含有1-10个碳原子的烷基链的烷基基团，该烷基链可能被较低的烷基取代；A-O-表示具有雌激素活性的化合物的残基，q表示1-3的整数，及其生理上可接受的盐。上述化合物(I)或(II)可用作骨吸收抑制剂和骨疾病的治疗剂。
• Biphosphonate derivative
  申请人：HOECHST JAPAN LIMITED

  公开号：EP0548884A1

  公开（公告）日：1993-06-30

  A compound represented by the general formula: wherein A-O-denotes a residue of a compound having an estrogenic activity; R₁ denotes H or a C₁-C₆ alkyl group; X denotes a single bond, a C₁-C₁₀ alkylene group or a group of the formula    wherein R₂ denotes H or a C₁-C₅ alkyl group; Z denotes a nitro group or a halogen; n is an integer of 3 to 12; k is an integer of 1 to 5; L is an integer of 0 to 5; and q is an integer of 1 to 3, and physiologically acceptable salts thereof. The compounds have a high affinity to bone tissues, and the compounds per se and metabolites thereof show significant therapeutic effect on bone diseases such as osteoporosis, rheumatoid arthritis and osteoarthritis.

  由通式表示的化合物： 其中 A-O 表示具有雌激素活性的化合物的残基；R₁ 表示 H 或 C₁-C₆ 烷基；X 表示单键、C₁-C₁₀ 亚烷基或式中的基团 其中 R₂ 表示 H 或 C₁-C₅ 烷基； Z 表示硝基或卤素； n 是 3 至 12 的整数； k 是 1 至 5 的整数； L 是 0 至 5 的整数； q 是 1 至 3 的整数、 及其生理上可接受的盐类。 这些化合物对骨组织有很高的亲和力，化合物本身及其代谢物对骨质疏松症、类风湿性关节炎和骨关节炎等骨病有显著的治疗效果。
• BEAUTIFYING FOODS AND DRINKS AND PERORAL BEAUTIFYING PREPARATIONS
  申请人：The Nisshin Oillio, Ltd.

  公开号：EP1340501A1

  公开（公告）日：2003-09-03

  The present invention relates to a food or beverage comprising at least one member selected from the group consisting of 5-membered ring-containing triterpenes and physiologically acceptable salts or derivatives thereof. The present invention also relates to an orally administered whitening agent comprising, as an effective component, at least one member selected from the group consisting of 5-membered ring-containing triterpenes and physiologically acceptable salts or derivatives thereof.

  本发明涉及一种食品或饮料，其中含有至少一种选自含五元环的三萜类化合物及其生理上可接受的盐或衍生物组成的组的成员。本发明还涉及一种口服美白剂，其有效成分包括至少一种选自含五元环的三萜类化合物及其生理上可接受的盐或衍生物组成的组。
• FEEDS AND FERTILIZERS CONTAINING PENTACYCLIC TRITERPENES
  申请人：The Nisshin OilliO, Ltd.

  公开号：EP1430787A1

  公开（公告）日：2004-06-23

  The present invention relates to a feed, a fertilizer, a melanogenesis- inhibitory agent for animals and plants and a blackening/browning-inhibitory composition for animals and plants, each comprising, as an effective component, at least one member selected from the group consisting of pentacyclic triterpenes, physiologically acceptable salts thereof and derivatives thereof, which have an excellent melanogenesis-inhibitory effect.

  本发明涉及一种饲料、一种肥料、一种动植物黑色素生成抑制剂和一种动植物变黑/褐变抑制组合物，其中每一种都包含至少一种选自五环三萜类化合物、其生理上可接受的盐类及其衍生物组成的组的有效成分，它们具有极佳的黑色素生成抑制效果。