2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-[[(2R)-2-amino-3-methylpentanoyl]amino]-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

4.2 InChI

InChI=1S/C65H73Cl2N9O24/c1-5-22(2)44(69)58(88)75-48-50(82)25-7-10-36(31(66)13-25)96-38-15-27-16-39(54(38)100-64-55(53(85)52(84)40(21-77)98-64)99-42-20-65(4,70)56(86)23(3)95-42)97-37-11-8-26(14-32(37)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-35(80)43(30)29-12-24(6-9-34(29)79)45(59(89)76-49)73-60(90)46(27)72-57(87)33(19-41(68)81)71-61(48)91/h6-18,22-23,33,40,42,44-53,55-56,64,77-80,82-86H,5,19-21,69-70H2,1-4H3,(H2,68,81)(H,71,91)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,76,89)(H,93,94)/t22?,23-,33-,40+,42-,44+,45+,46+,47-,48+,49-,50+,51+,52+,53-,55+,56+,64-,65-/m0/s1

4.3 InChIKey

FGDOJVYPUSOORV-BKPBQXSSSA-N

4.4 Canonical SMILES

CCC(C)C(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3OC5C(C(C(C(O5)CO)O)O)OC6CC(C(C(O6)C)O)(C)N)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)N

4.5 Isomeric SMILES

CCC(C)[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6C[C@]([C@@H]([C@@H](O6)C)O)(C)N)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)N

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)