(19E,21E,23E,25E,27E,29E,31E)-33-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33 .3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid - (19E,21E,23E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl ]-1,3,5,9,11,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (1:1)

More details:

• Systematic name

  (19E,21E,23E,25E,27E,29E,31E)-33-[(3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33 .3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid - (19E,21E,23E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl ]-1,3,5,9,11,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (1:1)

• SMILES

  C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CCCC(CC(CC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)c4ccc(cc4)N)O)O)O)O)O)O)O)C(=O)O)O)N)O.C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CCCC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)c4ccc(cc4)N)O)O)O)O)O)O)O)C(=O)O)O)N)O

• Std. InChi

  InChI=1S/2C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38;1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73);4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b2*5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?;35?,36?,37-,40?,41?,42?,43?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m11/s1

• Std. InChIKey

  RZWQQZWPVPHLSY-NCZWHYCESA-N

• Cite this record

  CSID:34520326, http://www.chemspider.com/Chemical-Structure.34520326.html (accessed 06:39, Jun 11, 2024)