蛇椒藤碱
16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol · CAS 27073-72-9
- 中文名
- 蛇椒藤碱
- 中文别名
- 暂无
- 英文名
- 16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
- CAS
- 27073-72-9
- CID
- 179494
- IUPAC 名称
- 16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
名称与编号
- 中文名
- 蛇椒藤碱
- 中文别名
- 暂无
- 英文名
- 16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
- CAS
- 27073-72-9
- CID
- 179494
- IUPAC 名称
- 16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
分子属性
- 分子式
- C36H36N2O5
- 分子量
- 576.7 g/mol
- 精确质量
- 576.26242225 Da
- 单同位素质量
- 576.26242225 Da
- XLogP
- 6.1
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 2
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 983
结构标识
- InChIKey
- DQIJJKSVYLLDQW-UHFFFAOYSA-N
- SMILES
- CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
- InChI
- InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3