(1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
(1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one · CAS 82513-70-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
- CAS
- 82513-70-0
- CID
- 102004634
- IUPAC 名称
- (1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
- CAS
- 82513-70-0
- CID
- 102004634
- IUPAC 名称
- (1S,14S,15E)-15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
分子属性
- 分子式
- C20H24N2O3
- 分子量
- 340.4 g/mol
- 精确质量
- 340.17869263 Da
- 单同位素质量
- 340.17869263 Da
- XLogP
- 1.8
- 极性表面积
- 76.6 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 563
结构标识
- InChIKey
- MOAWWDRCFPJTIT-UVTBBOSTSA-N
- SMILES
- C/C=C\1/CN([C@H]2CC3=C(C(=O)C[C@H]1C2CO)NC4=C3C=C(C=C4)O)C
- InChI
- InChI=1S/C20H24N2O3/c1-3-11-9-22(2)18-7-15-14-6-12(24)4-5-17(14)21-20(15)19(25)8-13(11)16(18)10-23/h3-6,13,16,18,21,23-24H,7-10H2,1-2H3/b11-3-/t13-,16?,18+/m1/s1