(2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester
(2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester · CAS 4835-69-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester
- CAS
- 4835-69-2
- CID
- 605544
- IUPAC 名称
- methyl 13-ethylidene-18-hydroxy-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-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester
- CAS
- 4835-69-2
- CID
- 605544
- IUPAC 名称
- methyl 13-ethylidene-18-hydroxy-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
- C21H24N2O3
- 分子量
- 352.4 g/mol
- 精确质量
- 352.17869263 Da
- 单同位素质量
- 352.17869263 Da
- XLogP
- 2
- 极性表面积
- 61.8 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 707
结构标识
- InChIKey
- RLUORQGMBKDXPO-UHFFFAOYSA-N
- SMILES
- CC=C1CN2C3CC1C4(C2CC5(C3NC6=CC=CC=C65)C4O)C(=O)OC
- InChI
- InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3