(1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate
(1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate · CAS 142674-52-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate
- CAS
- 142674-52-0
- CID
- 73989113
- IUPAC 名称
- (1,2,4,13,14,15,18,19,20,34,35-undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate
- CAS
- 142674-52-0
- CID
- 73989113
- IUPAC 名称
- (1,2,4,13,14,15,18,19,20,34,35-undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate
分子属性
- 分子式
- C40H30O26
- 分子量
- 926.6 g/mol
- 精确质量
- 926.10253106 Da
- 单同位素质量
- 926.10253106 Da
- XLogP
- -0.3
- 极性表面积
- 433 Ų
- 氢键供体
- 14
- 氢键受体
- 26
- 可旋转键
- 3
- 重原子数
- 66
- 净电荷
- 0
- 结构复杂度
- 1930
结构标识
- InChIKey
- LCJOXNIMFDLZJH-UHFFFAOYSA-N
- SMILES
- C1C(C2(C3C1(C(=O)OC4C5COC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)OC4C(C(O5)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C39)O2)O)O)O)O)O)O)O)O)O)O)O
- InChI
- InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2