Mogroside III A1 [M+H]+
Mogroside III A1 [M+H]+ · CAS 88901-42-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Mogroside III A1 [M+H]+
- CAS
- 88901-42-2
- CID
- 76401248
- IUPAC 名称
- 2-[[6-[6-(3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxy-2-methylheptan-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-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
- Mogroside III A1 [M+H]+
- CAS
- 88901-42-2
- CID
- 76401248
- IUPAC 名称
- 2-[[6-[6-(3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxy-2-methylheptan-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
分子属性
- 分子式
- C48H82O19
- 分子量
- 963.2 g/mol
- 精确质量
- 962.54503038 Da
- 单同位素质量
- 962.54503038 Da
- XLogP
- 0.1
- 极性表面积
- 318 Ų
- 氢键供体
- 13
- 氢键受体
- 19
- 可旋转键
- 14
- 重原子数
- 67
- 净电荷
- 0
- 结构复杂度
- 1720
结构标识
- InChIKey
- DDDXYRAMQRKPDO-UHFFFAOYSA-N
- SMILES
- CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)O)C)O)C)C
- InChI
- InChI=1S/C48H82O19/c1-21(22-15-16-46(6)28-12-10-23-24(11-13-29(51)44(23,2)3)48(28,8)30(52)17-47(22,46)7)9-14-31(45(4,5)61)66-43-40(67-42-39(60)36(57)33(54)26(19-50)64-42)37(58)34(55)27(65-43)20-62-41-38(59)35(56)32(53)25(18-49)63-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3