
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 12768-44-4 |
| Catalog No. | 2A-9012361 |
| Chinese Name | 硫酸芦丁 |
| Synonyms | rutin sulfate |
| Molecular Formula | C20H32O4S |
| Molecular Weight | 368.53100 |
| Purity | 98.00 |
| Boiling Point | 983.1ºC at 760 mmHg |
| Melting Point | 195ºC (dec.)(lit.) |
| Appearance | Yellow to green powder |
| SMILES | CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O.O=S(=O)(O)O |
| InChI | InChI=1S/C27H30O16.Na.H2O4S/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;1-5(2,3)4/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;;(H2,1,2,3,4)/q;+1;/p-1/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;/m0../s1 |
| InChI Key | XFXKRQZMTKNFHT-UHFFFAOYSA-N |
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