(10E)-3-O-De(a-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin 2'-Acetate
(10E)-3-O-De(a-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin 2'-Acetate · CAS 198782-60-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (10E)-3-O-De(a-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin 2'-Acetate
- CAS
- 198782-60-4
- CID
- 10651425
- IUPAC 名称
- [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11E,13S,14R)-14-ethyl-4,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (10E)-3-O-De(a-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin 2'-Acetate
- CAS
- 198782-60-4
- CID
- 10651425
- IUPAC 名称
- [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11E,13S,14R)-14-ethyl-4,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] acetate
分子属性
- 分子式
- C32H55NO10
- 分子量
- 613.8 g/mol
- 精确质量
- 613.38259695 Da
- 单同位素质量
- 613.38259695 Da
- XLogP
- 3.1
- 极性表面积
- 141 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 1020
结构标识
- InChIKey
- IUCZZHVKCDIHRC-OCSKKARXSA-N
- SMILES
- CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)OC(=O)C)(C)OC)C)\C)(C)O
- InChI
- InChI=1S/C32H55NO10/c1-13-24-31(8,38)15-17(2)25(35)18(3)16-32(9,39-12)28(20(5)26(36)21(6)29(37)42-24)43-30-27(41-22(7)34)23(33(10)11)14-19(4)40-30/h15,18-21,23-24,26-28,30,36,38H,13-14,16H2,1-12H3/b17-15+/t18-,19-,20+,21-,23+,24-,26+,27-,28-,30+,31+,32-/m1/s1