2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (4S,5E,6S)-5-ethylidene-4-[2-[(2E)-2-[(2S,4S)-5-methoxycarbonyl-4-[2-[(2E)-2-[(2S,4S)-5-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

4.2 InChI

InChI=1S/C52H70O33/c1-6-20-23(26(44(68)72-3)17-77-47(20)83-50-41(65)38(62)35(59)29(14-53)80-50)12-33(57)75-10-8-22-25(28(46(70)74-5)19-79-49(22)85-52-43(67)40(64)37(61)31(16-55)82-52)13-34(58)76-9-7-21-24(11-32(56)71-2)27(45(69)73-4)18-78-48(21)84-51-42(66)39(63)36(60)30(15-54)81-51/h6-8,17-19,23-25,29-31,35-43,47-55,59-67H,9-16H2,1-5H3/b20-6+,21-7+,22-8+/t23-,24-,25-,29+,30+,31+,35+,36+,37+,38-,39-,40-,41+,42+,43+,47-,48-,49-,50-,51-,52-/m0/s1

4.3 InChIKey

NLNRCTDJSNAESZ-JJYRGLHPSA-N

4.4 Canonical SMILES

CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC=C3C(C(=COC3OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC)CC(=O)OCC=C5C(C(=COC5OC6C(C(C(C(O6)CO)O)O)O)C(=O)OC)CC(=O)OC

4.5 Isomeric SMILES

C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC/C=C/3\[C@@H](C(=CO[C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)OC)CC(=O)OC/C=C/5\[C@@H](C(=CO[C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C(=O)OC)CC(=O)OC

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)