2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(1S,2R,3R,4S,5S,6S,8R,9S,10R,13S,16S,17R,18R)-11-ethyl-8-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate

4.2 InChI

InChI=1S/C34H49NO9/c1-8-35-16-32(17-38-2)12-11-24(42-6)34-20-14-19-23(41-5)15-33(37,26(30(34)35)28(43-7)29(32)34)25(20)27(19)44-31(36)18-9-10-21(39-3)22(13-18)40-4/h9-10,13,19-20,23-30,37H,8,11-12,14-17H2,1-7H3/t19-,20+,23-,24-,25+,26+,27-,28-,29+,30+,32-,33+,34-/m0/s1

4.3 InChIKey

APASMVTWTZAVFK-FBVPPZFQSA-N

4.4 Canonical SMILES

CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)OC)O)OC)OC)COC

4.5 Isomeric SMILES

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@H]([C@H]31)[C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)OC)O)OC)OC)COC

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)