(3S,5R,6E,10S,11S,14S,16S,20S,22R,23Z,28R,29R,30S,32R,33S,36R,37R,42R,44S,51R)-36-[(4S,5E)-7-Chloro-4-hydroxy-2-methylene-5,7-octadien-1-yl]-3,20,30,32,33,37,44-heptahydroxy-16-methoxy-3,11,29,47,51-p entamethyl-9,35,39,46,48,49,50,52-octaoxaoctacyclo[40.3.1.1^1,5.1^7,10.1^14,18.1^18,22.1^28,32.1^34,38]dopentaconta-6,23-diene-12,40-dione

More details:

• Systematic name

  (3S,5R,6E,10S,11S,14S,16S,20S,22R,23Z,28R,29R,30S,32R,33S,36R,37R,42R,44S,51R)-36-[(4S,5E)-7-Chloro-4-hydroxy-2-methylene-5,7-octadien-1-yl]-3,20,30,32,33,37,44-heptahydroxy-16-methoxy-3,11,29,47,51-p entamethyl-9,35,39,46,48,49,50,52-octaoxaoctacyclo[40.3.1.1~1,5~.1~7,10~.1~14,18~.1~18,22~.1~28,32~.1~34,38~]dopentaconta-6,23-diene-12,40-dione

• SMILES

  C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](CC4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@@H]5C(/C(=C\[C@H]6C[C@](CC7(O6)C[C@H](C[C@@H](O7)CC(=O)OC8[C@@H]([C@H](OC(C8C)[C@@H]([C@](O2)(C[C@@H]1O)O)O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)O)O)(C)O)/CO5)C)C)OC)O

• Std. InChi

  InChI=1S/C59H89ClO19/c1-31(16-38(61)15-14-32(2)60)17-49-51(67)53-36(6)54(73-49)55(68)59(70)28-47(65)34(4)48(79-59)13-11-9-10-12-41-19-39(62)24-57(75-41)27-44(71-8)21-43(76-57)22-46(64)35(5)52-33(3)37(29-72-52)18-45-26-56(7,69)30-58(78-45)25-40(63)20-42(77-58)23-50(66)74-53/h10,12,14-15,18,33-36,38-45,47-49,51-55,61-63,65,67-70H,1-2,9,11,13,16-17,19-30H2,3-8H3/b12-10-,15-14+,37-18-/t33?,34-,35-,36?,38-,39+,40+,41+,42-,43+,44+,45+,47+,48-,49-,51-,52+,53?,54?,55+,56+,57?,58?,59-/m1/s1

• Std. InChIKey

  JOEPUFOWFXWEDN-QYJZFKOPSA-N

• Cite this record

  CSID:57641822, http://www.chemspider.com/Chemical-Structure.57641822.html (accessed 13:46, Apr 25, 2024)