330157-04-5 ((8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one,9-Desfluoro-11-deshydroxy-11,12-dehydro Betamethasone)

CAS号:
330157-04-5
中文名称:
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
英文名称:
9-Desfluoro-11-deshydroxy-11,12-dehydro Betamethasone
分子式:
C22H28O4
分子量:
356.455327033997

(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one(330157-04-5)名称与标识符

名称

中文别名:
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;
英文别名:
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;Pregna-1,4,11-triene-3,20-dioneE, 17,21-dihydroxy-16-methyl-, (16beta)-;9-Desfluoro-11-deshydroxy-11,12-dehydro Betamethasone;DTXSID70186648;17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,11-TRIENE-3,20-DIONE;(8S,9S,10R,13S,14S,16S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one;PREGNA-1,4,11-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16.BETA.)-;BETAMETHASONE IMPURITY F [EP IMPURITY];17,21-Dihydroxy-16beta-methylpregna-1,4,11-triene-3,20-dione;DTXCID10109139;Q27266503;330157-04-5;BETAMETHASONE IMPURITY F (EP IMPURITY);UNII-76R1T8OZLE;(16ss)-17,21-Dihydroxy-16-methylpregna-1,4,11-triene-3,20-dione (9Cl); 17,21-Dihydroxy-16ss-methylpregna-1,4,11-triene-3,20-dione; Betamethasone Imp. F (EP);PREGNA-1,4,11-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16BETA)-;76R1T8OZLE;

标识符

InChIKey:
ZPKPMZGRZVNGSU-OHIZPDRYSA-N
Inchi:
1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-9,11,13,16-18,23,26H,4-5,10,12H2,1-3H3/t13-,16+,17-,18-,20-,21-,22-/m0/s1
SMILES:
O[C@]1(C(CO)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3C=C[C@@]21C)=O

(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one(330157-04-5)物化性质

计算特性

  • 精确分子量 : 356.19875937Da
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 356.19875937Da
  • 重原子数量 : 26
  • 复杂度 : 762
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 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) : 3.1
  • 拓扑分子极性表面积 : 74.6Ų

(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one(330157-04-5)推荐厂家 更多厂家(7)

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