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61473-64-1 , 1,4-b-D-Cellotriitol
C18H34O16 / 506.45
| CAS Number | 61473-64-1 |
| Product Name | 1,4-b-D-Cellotriitol (borohydride reduced cellotriose) |
| IUPAC Name | (2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,5,6-pentol |
| Molecular Formula | C18H34O16 |
| Molecular Weight | 506.5 g/mol |
| InChI | InChI=1S/C18H34O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h5-30H,1-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17-,18-/m0/s1 |
| InChI Key | XJCCHWKNFMUJFE-JTCQMAGDSA-N |
| SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(CO)O)O)CO)O)O)O)O |
| Canonical SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(CO)O)O)CO)O)O)O)O |
| Isomeric SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)CO)O)O)O)O |
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