2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol · CAS 1370264-16-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- CAS
- 1370264-16-6
- CID
- 76517932
- IUPAC 名称
- 2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- CAS
- 1370264-16-6
- CID
- 76517932
- IUPAC 名称
- 2-[[12-hydroxy-17-(6-hydroxy-6-methylhept-2-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
分子属性
- 分子式
- C36H62O8
- 分子量
- 622.9 g/mol
- 精确质量
- 622.44446893 Da
- 单同位素质量
- 622.44446893 Da
- XLogP
- 5.6
- 极性表面积
- 140 Ų
- 氢键供体
- 6
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1070
结构标识
- InChIKey
- YCDZBVXSGVWFFX-UHFFFAOYSA-N
- SMILES
- CC(=CCCC(C)(C)O)C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C
- InChI
- InChI=1S/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3