(1''S,2S,2'S,3''S,3a'S,4R,4aS,6S,6''S,7S,7'S,7a'S,8aS,9''S,12''S,14''R,16''R,18''S,29''S,34''S,37''S,39''R,40''S,43''R,44''S)-7-Hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',14'',29''-tetramethyl-8'',15''-bis (methylene)decahydro-3H,3'H,32''H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]undecaoxaundecacyclo[32.9.2.1^3,40.1^3,41.1^6,9.1^12,16.0^18,30.0^20,28 .0^22,26.0^37,44.0^39,43]nonatetracontan

More details:

• Systematic name

  (1''S,2S,2'S,3''S,3a'S,4R,4aS,6S,6''S,7S,7'S,7a'S,8aS,9''S,12''S,14''R,16''R,18''S,29''S,34''S,37''S,39''R,40''S,43''R,44''S)-7-Hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',14'',29''-tetramethyl-8'',15''-bis (methylene)decahydro-3H,3'H,32''H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]undecaoxaundecacyclo[32.9.2.1~3,40~.1~3,41~.1~6,9~.1~12,16~.0~18,30~.0~20,28 ~.0~22,26~.0~37,44~.0~39,43~]nonatetracontan]-32''-one

• SMILES

  C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45CC6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@H](O8)CC(=O)OC9[C@H](C3C(CC4C(O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@@]3(O4)C[C@H]([C@H]4[C@@H](O3)C[C@@H]([C@@H](O4)CC(=O)CCO)O)C)C)O[C@H]9C[C@H](C1=C)O2)C

• Std. InChi

  InChI=1S/C61H86O19/c1-27-15-34-7-9-38-28(2)16-36(66-38)11-13-59-25-47-55(79-59)56-57(73-47)58(80-59)54-39(70-56)10-8-35(68-54)18-49(65)74-53-32(6)52-44(69-43(53)20-40(67-34)31(27)5)21-42-46(72-52)24-61(75-42)26-48-51(78-61)30(4)23-60(77-48)22-29(3)50-45(76-60)19-37(64)41(71-50)17-33(63)12-14-62/h27,29-30,32,34-48,50-58,62,64H,2,5,7-26H2,1,3-4,6H3/t27-,29-,30+,32+,34+,35+,36+,37+,38+,39+,40-,41+,42?,43+,44?,45+,46?,47?,48+,50+,51+,52?,53?,54+,55+,56+,57-,58+,59+,60+,61+/m1/s1

• Std. InChIKey

  WVWWZNXKZNACRW-IOVUCQFPSA-N

• Cite this record

  CSID:30809993, http://www.chemspider.com/Chemical-Structure.30809993.html (accessed 09:33, Jul 4, 2024)