(10E)-3-O-De(alpha-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin
(10E)-3-O-De(alpha-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin · CAS 198782-59-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (10E)-3-O-De(alpha-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin
- CAS
- 198782-59-1
- CID
- 10769412
- IUPAC 名称
- (3R,4S,5S,6R,7R,9R,11E,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,10-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (10E)-3-O-De(alpha-L-cladinose)-10-dehydro-11-dehydroxy-6-O-methyl-erythromycin
- CAS
- 198782-59-1
- CID
- 10769412
- IUPAC 名称
- (3R,4S,5S,6R,7R,9R,11E,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,10-dione
分子属性
- 分子式
- C30H53NO9
- 分子量
- 571.7 g/mol
- 精确质量
- 571.37203227 Da
- 单同位素质量
- 571.37203227 Da
- XLogP
- 2.5
- 极性表面积
- 135 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 5
- 重原子数
- 40
- 净电荷
- 0
- 结构复杂度
- 910
结构标识
- InChIKey
- GVPDZXPAAWSLFA-WJOUQQCVSA-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)O)(C)OC)C)\C)(C)O
- InChI
- InChI=1S/C30H53NO9/c1-12-22-29(7,36)14-16(2)23(32)17(3)15-30(8,37-11)26(19(5)24(33)20(6)27(35)39-22)40-28-25(34)21(31(9)10)13-18(4)38-28/h14,17-22,24-26,28,33-34,36H,12-13,15H2,1-11H3/b16-14+/t17-,18-,19+,20-,21+,22-,24+,25-,26-,28+,29+,30-/m1/s1