17-Hydroxyventuricidin A
17-Hydroxyventuricidin A · CAS 113204-43-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17-Hydroxyventuricidin A
- CAS
- 113204-43-6
- CID
- 85430801
- IUPAC 名称
- [6-[[1,7-dihydroxy-5-(5-hydroxy-4,6-dimethyl-7-oxononan-2-yl)-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] carbamate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17-Hydroxyventuricidin A
- CAS
- 113204-43-6
- CID
- 85430801
- IUPAC 名称
- [6-[[1,7-dihydroxy-5-(5-hydroxy-4,6-dimethyl-7-oxononan-2-yl)-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] carbamate
分子属性
- 分子式
- C41H67NO12
- 分子量
- 766 g/mol
- 精确质量
- 765.46632657 Da
- 单同位素质量
- 765.46632657 Da
- XLogP
- 4.1
- 极性表面积
- 204 Ų
- 氢键供体
- 5
- 氢键受体
- 12
- 可旋转键
- 11
- 重原子数
- 54
- 净电荷
- 0
- 结构复杂度
- 1350
结构标识
- InChIKey
- BAMOPHNQZMRRFR-UHFFFAOYSA-N
- SMILES
- CCC(=O)C(C)C(C(C)CC(C)C1C(C(C(C=CC(CCCC=C(C2C(=CCC(O2)(CC(=O)O1)O)C)C)OC3CC(C(C(O3)C)O)OC(=O)N)C)O)C)O
- InChI
- InChI=1S/C41H67NO12/c1-10-31(43)27(7)36(46)25(5)19-26(6)39-28(8)35(45)22(2)15-16-30(51-34-20-32(52-40(42)48)37(47)29(9)50-34)14-12-11-13-23(3)38-24(4)17-18-41(49,54-38)21-33(44)53-39/h13,15-17,22,25-30,32,34-39,45-47,49H,10-12,14,18-21H2,1-9H3,(H2,42,48)