Hydrangenoside A二甲基缩醛 | 952485-00-6
Hydrangenoside A二甲基缩醛
Hydrangenoside A diMethyl acetal
952485-00-6
C33H46O14
666.709951877594
名称和标识符
InChIKey |
XFPYZGYIBWUCDZ-ZKEMUXHQSA-N |
Inchi |
1S/C33H46O14/c1-5-23-24(25(30(40)41-2)17-44-31(23)47-32-29(39)28(38)27(37)26(16-34)46-32)13-22-15-33(42-3,43-4)14-21(45-22)12-20(36)11-8-18-6-9-19(35)10-7-18/h5-7,9-10,17,21-24,26-29,31-32,34-35,37-39H,1,8,11-16H2,2-4H3/t21-,22-,23+,24-,26+,27+,28-,29+,31-,32-/m0/s1 |
SMILES |
C([C@@H]1O[C@@H](CC(=O)CCC2C=CC(O)=CC=2)CC(OC)(OC)C1)[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H]1C=C |
别名信息
- 英文别名 -
- Hydrangenoside A diMethyl acetal
- Methyl 1H-indazole-7-carboxylate
- Hydrangenoside A dimethyl ketal
- [
"Hydrangenoside A dimethyl ketal"
]
- Methyl (2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[[(2S,6S)-tetrahydro-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4,4-dimethoxy-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylate (ACI)
物化性质
实验特性
LogP |
0.85890 |
PSA |
199.90000 |
颜色与性状 |
Powder |
计算特性