Biexcisusin B, (rel)-

More details:

• Systematic name

  (1S,1'S,3S,3'S,4R,4'R,6S,6'S,8S,8'S,9R,9'R,10S,10'S,11S,11'S,13R,13'R,17S)-3,3',8,8'-Tetrahydroxy-5,5,5',5',9,9'-hexamethyl-15'-oxo-18-oxaspiro[pentacyclo[11.6.1.0~1,10~.0~4,9~.0~14,19~]icosane-17,14' -tetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane]-14(19)-ene-6,6',11,11'-tetrayl tetraacetate

• SMILES

  CC(=O)O[C@H]1C[C@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4[C@H](C3)O)(C)C)OC(=O)C)O)C)C5=C2CC[C@]6(O5)[C@H]7C[C@@H]([C@H]8[C@@]9([C@H](C[C@@H](C([C@H]9[C@H](C[C@]8(C7)C6=O)O)(C)C)OC(=O)C)O)C)OC(=O)C

• Std. InChi

  InChI=1S/C48H68O14/c1-21(49)58-30-13-25-17-46(19-28(53)36-42(5,6)34(60-23(3)51)15-32(55)44(36,9)38(30)46)40-27(25)11-12-48(62-40)26-14-31(59-22(2)50)39-45(10)33(56)16-35(61-24(4)52)43(7,8)37(45)29(54)20-47(39,18-26)41(48)57/h25-26,28-39,53-56H,11-20H2,1-10H3/t25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1

• Std. InChIKey

  LXQRUBFETHTMTE-XTETYGSLSA-N

• Cite this record

  CSID:28487872, http://www.chemspider.com/Chemical-Structure.28487872.html (accessed 21:36, May 22, 2024)