主记录
CID10672023
- CAS
- 209214-29-9
- PubChem CID
- 10672023
- SMILES
- CCOC(=O)[C@@H]1[C@H](CN([C@H]1C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4
- 分子式
- C26H31NO7
- 分子量
- 469.534
- 精确分子量
- 469.2101
- InChI
- InChI=1S/C26H31NO7/c1-6-31-24(28)22-19(17-9-12-20-21(13-17)33-15-32-20)14-27(25(29)34-26(2,3)4)23(22)16-7-10-18(30-5)11-8-16/h7-13,19,22-23H,6,14-15H2,1-5H3/t19-,22-,23+/m1/s1
- InChIKey
- KNJBEAQHWXZCEN-PTUXOGIPSA-N
- LogP
- 4.6788
- TPSA
- 83.53
名称与别名
- CID10672023
- CID 11134476
- 1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-, 1-(1,1-dimethylethyl) 3-ethyl ester, (2R,3R,4S)-rel-
- 209214-29-9