[(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate
[(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate · CAS 169737-23-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate
- CAS
- 169737-23-9
- CID
- 75357232
- IUPAC 名称
- [(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate
- CAS
- 169737-23-9
- CID
- 75357232
- IUPAC 名称
- [(9R)-7-[(E)-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-5,14-dioxo-7,8,9,10,11,12-hexahydrophthalazino[2,3-b]phthalazin-9-yl] acetate
分子属性
- 分子式
- C38H50N2O4
- 分子量
- 598.8 g/mol
- 精确质量
- 598.37705808 Da
- 单同位素质量
- 598.37705808 Da
- XLogP
- 7.2
- 极性表面积
- 66.9 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 7
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1250
结构标识
- InChIKey
- FJOADSBQCKDHJA-RNVRZXMLSA-N
- SMILES
- C[C@H](/C=C/[C@H](C)C(C)C)C1CCC\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@H](C4)OC(=O)C)CN5N3C(=O)C6=CC=CC=C6C5=O)C
- InChI
- InChI=1S/C38H50N2O4/c1-23(2)24(3)13-14-25(4)33-17-18-34-27(10-9-19-38(33,34)6)20-35-32-21-29(44-26(5)41)16-15-28(32)22-39-36(42)30-11-7-8-12-31(30)37(43)40(35)39/h7-8,11-14,20,23-25,29,33-35H,9-10,15-19,21-22H2,1-6H3/b14-13+,27-20+/t24-,25+,29+,33?,34?,35?,38+/m0/s1