(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,23E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

More details:

• Systematic name

  (1S,3R,4E,6Z,8E,10Z,12E,14Z,16Z,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid

• SMILES

  C[C@H]1/C=C\C=C/C=C/C=C\C=C\C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

• Std. InChi

  InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16-/t27-,28-,29-,30+,31+,32+,33-,34?,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

• Std. InChIKey

  APKFDSVGJQXUKY-NDZUQNIXSA-N

• Cite this record

  CSID:64849076, http://www.chemspider.com/Chemical-Structure.64849076.html (accessed 20:51, Apr 29, 2024)