(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymeth yl)tetrahydro-2H-pyran-4-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5,9-dimethyl-14-methylenetetracyclo[11.2.1.0^1,10.0 ^4,9]hexadecane-5-carboxylate (non-preferred name)

More details:

• Systematic name

  (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymeth yl)tetrahydro-2H-pyran-4-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5,9-dimethyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~ 4,9~]hexadecane-5-carboxylate (non-preferred name)

• SMILES

  C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-31(56)29(54)25(50)19(13-46)62-38)23(43)6-10-44(17,16-43)67-39-35(64-33-26(51)20(14-47)60-36(58)32(33)57)34(27(52)21(15-48)63-39)65-37-30(55)28(53)24(49)18(12-45)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,41-,42-,43-,44+/m1/s1

• Std. InChIKey

  AEKOIHHFPRXTAD-CBHMQQJDSA-N

• Cite this record

  CSID:128920434, http://www.chemspider.com/Chemical-Structure.128920434.html (accessed 18:49, Apr 29, 2024)