(2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
(2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol · CAS 16549-56-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
- CAS
- 16549-56-7
- CID
- 97028040
- IUPAC 名称
- (2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
- CAS
- 16549-56-7
- CID
- 97028040
- IUPAC 名称
- (2R)-2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
分子属性
- 分子式
- C28H37NO4
- 分子量
- 451.6 g/mol
- 精确质量
- 451.27225866 Da
- 单同位素质量
- 451.27225866 Da
- XLogP
- 3.8
- 极性表面积
- 51.2 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 859
结构标识
- InChIKey
- QRKTXOUBZSDKCE-WTOXNGCTSA-N
- SMILES
- CC[C@](C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC)O
- InChI
- InChI=1S/C28H37NO4/c1-5-25(2,30)20-15-26-10-11-28(20,32-4)24-27(26)12-13-29(16-17-6-7-17)21(26)14-18-8-9-19(31-3)23(33-24)22(18)27/h8-11,17,20-21,24,30H,5-7,12-16H2,1-4H3/t20-,21-,24-,25-,26-,27+,28-/m1/s1