[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate · CAS 70695-02-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
- CAS
- 70695-02-2
- CID
- 73602
- IUPAC 名称
- [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
- CAS
- 70695-02-2
- CID
- 73602
- IUPAC 名称
- [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
分子属性
- 分子式
- C28H37NO8
- 分子量
- 515.6 g/mol
- 精确质量
- 515.25191714 Da
- 单同位素质量
- 515.25191714 Da
- XLogP
- 2.4
- 极性表面积
- 127 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 966
结构标识
- InChIKey
- YEUSSARNQQYBKH-UYFAJJFVSA-N
- SMILES
- C[C@@H]1C=C([C@]23[C@@H](C[C@H](C(=O)O[C@H]1C(C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)C5=CC=CN5)C)O)C
- InChI
- InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/t13-,15-,16?,17-,18-,20-,21+,22-,23-,24-,25-,28+/m1/s1