(13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
(13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate · CAS 535974-91-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
- CAS
- 535974-91-5
- CID
- 5148062
- IUPAC 名称
- (13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
- CAS
- 535974-91-5
- CID
- 5148062
- IUPAC 名称
- (13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
分子属性
- 分子式
- C37H39IO9
- 分子量
- 754.6 g/mol
- 精确质量
- 754.16388 Da
- 单同位素质量
- 754.16388 Da
- XLogP
- 5.2
- 极性表面积
- 121 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子数
- 47
- 净电荷
- 0
- 结构复杂度
- 1370
结构标识
- InChIKey
- TZUJORCXGLGWDV-UHFFFAOYSA-N
- SMILES
- CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C(=C6)I)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
- InChI
- InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3