19427-36-2 (11a-羟基-16,17a-环氧孕酮,11a-Hydroxy-16,17a-epoxyprogesterone)

11a-羟基-16,17a-环氧孕酮(19427-36-2)名称与标识符

名称

中文别名:
11a-羟基-16,17a-环氧孕酮;霉菌氧化物;11a-羟基-16,17a-环氧孕酮,In-house Standard;3-双(亚乙二氧基)-17Α-羟基-17Β-腈基-19-去甲孕甾-5(10),9(11)-二烯-3,20–二酮;16Α,17Α-环氧-11Α-羟基孕甾-4-烯-3,20-二酮;4-孕甾烯-16Α,17Α-环氧-11Β醇-3,20-二酮;
英文别名:
11a-Hydroxy-16,17a-epoxyprogesterone;16a,17-epoxy-11a-hydroxypregn-4-ene-3,20-dione;11Α-HYDROXY 16.17Α-EPOXY PROGESTERONE,11Α-HYDROXY 16.17Α-EPOXY PROGESTERONE;11α-Hydroxy-16,17α-epoxyprogesterone;11A-HYDROXY 16,17A-EPOXY PROGESTERONE;11A-HYDROXY EPOXY PROGESTERONE;11a-Hydroxy-16,17a-e;16,17-Epoxy-11-hydroxyprogesterone;16,17-Epoxypregn-4-en-11-ol-3,20-dione;16a,17-Epoxy-11a-hydroxypregn-4-ene;17A-HYDROXY-16A,17A-EPOXYPROGESTERONE;Mold oxide;11alpha-Hydroxy;11 alpha-hydroxy Epoxy progesterone;11α-HYDROXY 16.17α-EPOXY PROGESTERONE;19427-36-2;A)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione;(6AR,6bS,7R,8aS,8bS,9aR,10aS,10bS)-8b-acetyl-7-hydroxy-6a,8a-dimethyl-1,2,5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4-one;(1S,2S,4R,6S,7S,9R,10S,11R)-6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one;(11;(1S,2S,4R,6S,7S,9R,10S,11R)-6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0,.0,.0,octadec-15-en-14-one;16alpha,17-Epoxy-11alpha-hydroxypregn-4-ene-3,20-dione;W-107705;NS00052899;11a-Hydroxy-16a,17a-epoxyprogesterone;11-hydroxy-16,17-epoxypregn-4-ene-3,20-dione;A,16;AKOS027378796;CS-0449504;

标识符

MDL:
MFCD07367983
InChIKey:
XPOFTPYDSZJRKX-VOVZHTNUSA-N
Inchi:
1S/C21H28O4/c1-11(22)21-17(25-21)9-15-14-5-4-12-8-13(23)6-7-19(12,2)18(14)16(24)10-20(15,21)3/h8,14-18,24H,4-7,9-10H2,1-3H3/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
SMILES:
O1[C@@H]2C[C@H]3[C@@H]4CCC5=CC(CC[C@]5(C)[C@H]4[C@@H](C[C@]3(C)[C@]12C(C)=O)O)=O

11a-羟基-16,17a-环氧孕酮(19427-36-2)物化性质

实验特性

  • LogP : 2.82560
  • PSA : 66.90000

计算特性

  • 精确分子量 : 344.19900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 344.19875937g/mol
  • 重原子数量 : 25
  • 复杂度 : 711
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.7
  • 拓扑分子极性表面积 : 66.9Ų

11a-羟基-16,17a-环氧孕酮(19427-36-2)安全信息

11a-羟基-16,17a-环氧孕酮(19427-36-2)国际标准相关数据

EINECS:
243-049-5