(1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
(1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid · CAS 200813-31-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- CAS
- 200813-31-6
- CID
- 85240644
- IUPAC 名称
- 7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- CAS
- 200813-31-6
- CID
- 85240644
- IUPAC 名称
- 7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
分子属性
- 分子式
- C19H24O3
- 分子量
- 300.4 g/mol
- 精确质量
- 300.17254462 Da
- 单同位素质量
- 300.17254462 Da
- XLogP
- 4.1
- 极性表面积
- 54.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子数
- 22
- 净电荷
- 0
- 结构复杂度
- 485
结构标识
- InChIKey
- VUSNLFYUMKLEAV-UHFFFAOYSA-N
- SMILES
- CC(=O)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
- InChI
- InChI=1S/C19H24O3/c1-12(20)13-5-7-15-14(11-13)6-8-16-18(15,2)9-4-10-19(16,3)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,21,22)