| Catalog |
DS23180576 |
| CAS |
23180-57-6 |
| Structure |  |
| Synonyms |
Peoniflorin; Paeonia Moutan; NSC 178886; 21AIQ4EV64; ((2S,2aR,2a1S,3aR,4R,5aR)-4-Hydroxy-2-Methyl-2a-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)Hexahydro-2H-1,5-Dioxa-2,4-Methanocyclobuta[Cd]Pentalen-2a1-Yl)Methyl Benzoate |
| IUPAC Name |
[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate |
| Molecular Weight |
480.45 |
| Molecular Formula |
C23H28O11 |
| InChI |
InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 |
| InChI Key |
YKRGDOXKVOZESV-WRJNSLSBSA-N |
| Melting Point |
124 °C |
| Purity |
10%, 20%, 30%, 50%, 90%, 98% |
| Density |
1.304 g/cm3 |
| Solubility |
Slightly soluble in methanol, pyridine |
| Appearance |
White crystal powder |
| Shelf Life |
24 months |
| Storage |
Store in a dry, airtight container under an inert atmosphere, away from light. |
| EC Number |
245-476-2 |
| Isomeric SMILES |
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
| Packaging |
25 kg |
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