15α-Acetoxy-3-methoxy-18-methyl-3,5-estradien-17-on | 104934-00-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 15α-Acetoxy-3-methoxy-18-methyl-3,5-estradien-17-on
• 英文别名: 15α-acetoxy-3-methoxy-18-methyl-estra-3,5-dien-17-one；15alpha-Acetoxy-3-methoxy-18-methyl-3,5-estradien-17-one；[(8R,9S,10R,13S,14S,15S)-13-ethyl-3-methoxy-17-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate
• CAS: 104934-00-1
• 化学式: C₂₂H₃₀O₄
• 分子量: 358.478
• InChiKey: MVEDSXZYUBHTEU-APNJQVRGSA-N

物化性质

• 沸点：
  506.0±50.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  15α-Acetoxy-3-methoxy-18-methyl-3,5-estradien-17-on 生成 孕二烯酮
  参考文献：
  名称：

  Process for the preparation of delta(15-16)-17-ketosteroids and use thereof in the synthesis of pharmacologically active compounds

  摘要：

  公开号：

  EP1586579B1
• 作为产物：
  描述：

  15x-乙酰氧基-18-甲基-4-雌烯-3,17-二酮 生成 15α-Acetoxy-3-methoxy-18-methyl-3,5-estradien-17-on
  参考文献：
  名称：

  Process for the preparation of delta(15-16)-17-ketosteroids and use thereof in the synthesis of pharmacologically active compounds

  摘要：

  公开号：

  EP1586579B1

文献信息

• 18-Methyl-19-norandrost-4-ene 17, 17-spiro ether (18-methyl-19-nor-20-spirox-4-en-3-one), and pharmaceutical products comprising the same
  申请人：BOHLMANN Rolf

  公开号：US20080153787A1

  公开（公告）日：2008-06-26

  The present invention describes the novel 18-methyl-19-norandrost-4-ene 17,17-spiro ethers of the general formula I in which Z is an oxygen atom, two hydrogen atoms, a group ═NOR or ═NNHSO 2 R, where R is a hydrogen atom or a straight- or branched-chain alkyl group having 1 to 4 or 3 to 4 carbon atoms, R 4 is a hydrogen atom, a halogen atom or a trifluoromethyl group, and R 6 and/or R 7 may have a or a configuration, and R 6 and R 7 are independently of one another a hydrogen atom or a straight- or branched-chain alkyl group having 1 to 4 or 3 to 4 carbon atoms or a straight- or branched-chain alkenyl group having 2 to 4 or 3 to 4 carbon atoms or a saturated cycloalkyl group having 3 to 5 carbon atoms or together are a methylene group or a double bond. The novel compounds have progestational and antimineralocorticoid activity.

  本发明描述了一种新颖的18-甲基-19-诺尔雄烷-4-烯-17,17-螺环醚，其通式为I，其中Z是氧原子、两个氢原子、一个基团═NOR或═NNHSO2R，其中R是氢原子或具有1至4或3至4个碳原子的直链或支链烷基基团，R4是氢原子、卤素原子或三氟甲基基团，R6和/或R7可能具有α或β构型，且R6和R7彼此独立地是氢原子或具有1至4或3至4个碳原子的直链或支链烷基基团或具有2至4或3至4个碳原子的直链或支链烯基基团或具有3至5个碳原子的饱和环烷基基团，或者一起是亚甲基基团或双键。这些新化合物具有孕酮作用和抗矿皮质激素活性。
• Process for the preparation of gestodene
  申请人：LABORATOIRE THERAMEX

  公开号：EP2354150A1

  公开（公告）日：2011-08-10

  The invention relates to a process for the preparation of a compound of formula (I) : wherein R1 and R2 are as defined in the description, by reaction of a compound of formula (II) with a base. Compound (I) is an intermediate useful in the preparation of gestodene.

  该发明涉及一种制备化合物的过程，其化学式为（I）：其中R1和R2如描述中所定义，通过化合物的反应（II）与碱。化合物（I）是制备醋酸雌激素的中间体。
• Process for the production of
  申请人：Schering Aktiengesellschaft

  公开号：US04719054A1

  公开（公告）日：1988-01-12

  A process and novel starting materials for the production of 17.alpha.-ethynyl-17.beta.-hydroxy-18-methyl-4,15-estradien-3-one of Formula I ##STR1## are disclosed. Novel 17-ketone starting materials have the Formula II ##STR2## wherein R is an alkyl residue of 1-3 carbon atoms and ##STR3## is the grouping ##STR4## wherein R' is an acyl group of up to 10 carbon atoms.

  本发明公开了一种生产17.alpha.-乙炔基-17.beta.-羟基-18-甲基-4,15-雌二烯-3-酮（化学式I）的过程和新型起始材料。新型17-酮起始材料的化学式为II，其中R是1-3个碳原子的烷基残基，而##STR3##是羧酰基为最多10个碳原子的基团##STR4##。
• PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15, 16 OF A STEROID
  申请人：Moutou Jean-Luc

  公开号：US20130137885A1

  公开（公告）日：2013-05-30

  The invention relates to a process for the preparation of a compound of formula wherein R 1 and R 2 are as defined in the description, by reaction of a compound of formula (II) with a base. Compound (I) is an intermediate useful in the preparation of gestodene.

  本发明涉及一种制备公式化合物的方法，其中R1和R2如描述中所定义，通过化合物（II）与碱的反应制备化合物（I）。化合物（I）是制备醇炔雌激素的中间体。
• Process for introducing a double bond into position 15, 16 of a steroid
  申请人：Moutou Jean-Luc

  公开号：US09012667B2

  公开（公告）日：2015-04-21

  The invention relates to a process for the preparation of a compound of formula (I): wherein R1 and R2 are as defined in the description, by reaction of a compound of formula (II) with a base. Compound (I) is an intermediate useful in the preparation of gestodene.

  本发明涉及一种制备式(I)化合物的方法：其中R1和R2如描述中所定义，通过将式(II)化合物与碱反应制备得到。化合物(I)是制备醇炔雌激素的有用中间体。