(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-Amino(hydroxy)methoxy]-12-hydroxy-20-{(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxo-10-undecen-1-yl}-10,22-di methoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1^2,5.1^6,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one

More details:

• Systematic name

  (10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-Amino(hydroxy)methoxy]-12-hydroxy-20-{(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxo-10-undecen-1-yl}-10,22-di methoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one

• SMILES

  C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)CO)OC)OC)O[C@H](N)O

• Std. InChi

  InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1

• Std. InChIKey

  XYKNXOJYKRVXBX-ZAUPHERQSA-N

• Cite this record

  CSID:4450775, http://www.chemspider.com/Chemical-Structure.4450775.html (accessed 02:17, Apr 20, 2024)