(3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-6,10,13-Trimethoxy-3-(methoxymethyl)-1-methyldodecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,8,9,11,11a(7H)-pentaol
(3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-6,10,13-Trimethoxy-3-(methoxymethyl)-1-methyldodecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,8,9,11,11a(7H)-pentaol · CAS 6792-09-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-6,10,13-Trimethoxy-3-(methoxymethyl)-1-methyldodecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,8,9,11,11a(7H)-pentaol
- CAS
- 6792-09-2
- CID
- 54760335
- IUPAC 名称
- (2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-6,10,13-Trimethoxy-3-(methoxymethyl)-1-methyldodecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,8,9,11,11a(7H)-pentaol
- CAS
- 6792-09-2
- CID
- 54760335
- IUPAC 名称
- (2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
分子属性
- 分子式
- C24H39NO9
- 分子量
- 485.6 g/mol
- 精确质量
- 485.26248182 Da
- 单同位素质量
- 485.26248182 Da
- XLogP
- -2.9
- 极性表面积
- 141 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 5
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 862
结构标识
- InChIKey
- GQRPJUIKGLHLLN-ZRCUZHKGSA-N
- SMILES
- CN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
- InChI
- InChI=1S/C24H39NO9/c1-25-8-21(9-31-2)11(26)6-12(32-3)23-10-7-22(29)18(27)13(10)24(30,19(28)20(22)34-5)14(17(23)25)15(33-4)16(21)23/h10-20,26-30H,6-9H2,1-5H3/t10-,11-,12+,13-,14?,15+,16-,17?,18-,19+,20+,21+,22-,23?,24-/m1/s1