(9,10-Dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
(9,10-Dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate · CAS 96850-29-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (9,10-Dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
- CAS
- 96850-29-2
- CID
- 494945
- IUPAC 名称
- (9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (9,10-Dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
- CAS
- 96850-29-2
- CID
- 494945
- IUPAC 名称
- (9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
分子属性
- 分子式
- C22H28O6
- 分子量
- 388.5 g/mol
- 精确质量
- 388.18858861 Da
- 单同位素质量
- 388.18858861 Da
- XLogP
- 1.2
- 极性表面积
- 93.1 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 829
结构标识
- InChIKey
- KNRAGAKNFNKKQF-UHFFFAOYSA-N
- SMILES
- CC(=O)OC1C(=C)C2CCC3C1(C2)C4(C(C5C3(CO4)C(=O)C=CC5(C)C)O)O
- InChI
- InChI=1S/C22H28O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)18(11)28-12(2)23)17(25)16(20)19(3,4)8-7-15(20)24/h7-8,13-14,16-18,25-26H,1,5-6,9-10H2,2-4H3