(6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
(6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione · CAS 87539-45-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
- CAS
- 87539-45-5
- CID
- 632103
- IUPAC 名称
- 11,19-dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
- CAS
- 87539-45-5
- CID
- 632103
- IUPAC 名称
- 11,19-dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
分子属性
- 分子式
- C23H29NO6
- 分子量
- 415.5 g/mol
- 精确质量
- 415.19948764 Da
- 单同位素质量
- 415.19948764 Da
- XLogP
- 0.1
- 极性表面积
- 116 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 2
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 923
结构标识
- InChIKey
- GUUSJROCWMOQNZ-UHFFFAOYSA-N
- SMILES
- CC1=NC2(C(O1)CC3C2(CC(C4C3CC(C5=CC(=O)C=CC45C)O)O)C)C(=O)CO
- InChI
- InChI=1S/C23H29NO6/c1-11-24-23(18(29)10-25)19(30-11)8-14-13-7-16(27)15-6-12(26)4-5-21(15,2)20(13)17(28)9-22(14,23)3/h4-6,13-14,16-17,19-20,25,27-28H,7-10H2,1-3H3