[(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
[(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate · CAS 87745-28-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
- CAS
- 87745-28-6
- CID
- 6326659
- IUPAC 名称
- [(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
- CAS
- 87745-28-6
- CID
- 6326659
- IUPAC 名称
- [(1S,3S,5E,8E,11S,12S,13E,17R,21R,23R,25S)-1,11,21,25-tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
分子属性
- 分子式
- C45H66O16
- 分子量
- 863 g/mol
- 精确质量
- 862.43508601 Da
- 单同位素质量
- 862.43508601 Da
- XLogP
- 3.4
- 极性表面积
- 234 Ų
- 氢键供体
- 5
- 氢键受体
- 16
- 可旋转键
- 11
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1710
结构标识
- InChIKey
- LIPGUSBNMQRYNL-WZYRAJGLSA-N
- SMILES
- CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)O)O)[C@@H](C)O
- InChI
- InChI=1S/C45H66O16/c1-9-10-11-12-13-14-37(49)59-41-29(21-39(51)56-8)20-32-24-35(27(2)46)58-40(52)23-30(47)22-33-25-36(48)43(5,6)44(53,60-33)26-34-18-28(19-38(50)55-7)17-31(57-34)15-16-42(3,4)45(41,54)61-32/h11-16,19,21,27,30-36,41,46-48,53-54H,9-10,17-18,20,22-26H2,1-8H3/b12-11+,14-13+,16-15+,28-19-,29-21+/t27-,30-,31?,32?,33-,34+,35-,36+,41+,44+,45-/m1/s1