(26-Bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate
(26-Bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate · CAS 57375-25-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (26-Bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate
- CAS
- 57375-25-4
- CID
- 431605
- IUPAC 名称
- (26-bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (26-Bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate
- CAS
- 57375-25-4
- CID
- 431605
- IUPAC 名称
- (26-bromo-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetate
分子属性
- 分子式
- C37H44BrNO12
- 分子量
- 774.6 g/mol
- 精确质量
- 773.20469 Da
- 单同位素质量
- 773.20469 Da
- XLogP
- 5
- 极性表面积
- 195 Ų
- 氢键供体
- 4
- 氢键受体
- 12
- 可旋转键
- 3
- 重原子数
- 51
- 净电荷
- 0
- 结构复杂度
- 1540
结构标识
- InChIKey
- KEBCSEWEARRZEF-UHFFFAOYSA-N
- SMILES
- CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)Br)C
- InChI
- InChI=1S/C37H44BrNO12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,1-9H3,(H,39,47)