(1'S,2S,4'R,5R,6S,8'S,10'E,12'R,13'R,14'E,16'E,20'S,21'S,24'R)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8. 0^20,24]pentacosa[10,14,16,22]tetraen]-12'-yl (4ξ)-2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranosyl)-3-O-methyl-α-D-threo-hexopyranoside - (1'S,2S,4'R,5R,6S,8'S,10'E,12'R,13 'R,14'E,16'E,20'S,21'S,24'R)-6-[(2R)-2-butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8.0^20,24]pentacosa[10,14,16 ,22]tetraen]-12'-yl (4ξ)-2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranosyl)-3-O-methyl-α-D-threo-hexopyranoside (1:1)

More details:

• Systematic name

  (1'S,2S,4'R,5R,6S,8'S,10'E,12'R,13'R,14'E,16'E,20'S,21'S,24'R)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~. 0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl (4xi)-2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-D-arabino-hexopyranosyl)-3-O-methyl-alpha-D-threo-hexopyranoside - (1'S,2S,4'R,5R,6S,8'S,10'E,12'R,13 'R,14'E,16'E,20'S,21'S,24'R)-6-[(2R)-2-butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16 ,22]tetraen]-12'-yl (4xi)-2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-D-arabino-hexopyranosyl)-3-O-methyl-alpha-D-threo-hexopyranoside (1:1)

• SMILES

  CC[C@@H](C)[C@H]1[C@@H](CC[C@]2(O1)C[C@H]3C[C@@H](O2)C/C=C(/[C@@H]([C@@H](/C=C/C=C/4\CO[C@@H]5[C@]4([C@H](C=C([C@@H]5O)C)C(=O)O3)O)C)O[C@@H]6C[C@H](C([C@H](O6)C)O[C@@H]7C[C@H]([C@@H]([C@H](O7)C)O)OC)OC)\C)C.C[C@@H]1CC[C@@]2(C[C@H]3C[C@@H](O2)C/C=C(/[C@@H]([C@@H](/C=C/C=C/4\CO[C@@H]5[C@]4([C@H](C=C([C@@H]5O)C)C(=O)O3)O)C)O[C@@H]6C[C@H](C([C@H](O6)C)O[C@@H]7C[C@H]([C@@H]([C@H](O7)C)O)OC)OC)\C)O[C@H]1C(C)C

• Std. InChi

  InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44?,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43?,44+,46+,47+/m11/s1

• Std. InChIKey

  SPBDXSGPUHCETR-BLQUAGECSA-N

• Cite this record

  CSID:68896230, http://www.chemspider.com/Chemical-Structure.68896230.html (accessed 04:01, Apr 27, 2024)