(2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester
(2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester · CAS 2506-26-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester
- CAS
- 2506-26-5
- CID
- 292620
- IUPAC 名称
- methyl 13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester
- CAS
- 2506-26-5
- CID
- 292620
- IUPAC 名称
- methyl 13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
分子属性
- 分子式
- C22H26N2O3
- 分子量
- 366.5 g/mol
- 精确质量
- 366.1943427 Da
- 单同位素质量
- 366.1943427 Da
- XLogP
- 2.1
- 极性表面积
- 53 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 737
结构标识
- InChIKey
- DOUQNGAJTIRQPP-UHFFFAOYSA-N
- SMILES
- CC=C1CN2C3CC1C4(C2CC5(C3N(C6=CC=CC=C65)C)C4O)C(=O)OC
- InChI
- InChI=1S/C22H26N2O3/c1-4-12-11-24-16-9-14(12)22(20(26)27-3)17(24)10-21(19(22)25)13-7-5-6-8-15(13)23(2)18(16)21/h4-8,14,16-19,25H,9-11H2,1-3H3