(3R,4E)-3-Hydroxy-5-[(2S,3aR,5R,5'R,6R,6''R,7aR)-2-{(R)-hydroxy[(2R,5S,6S)-2-hydroxy-5-methyl-6-{3-[(2S,2'R,3S,5R,6'R,8'S,10'S)-3,5,10'-trimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1 .0^2,6]dodecan]-8'-yl]-1-propen-2-yl}tetrahydro-2H-pyran-2-yl]methyl}-4'',6-dimethyl-2,3,3',3'',3a,4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl]-4-pentenoic acid

More details:

• Systematic name

  (3R,4E)-3-Hydroxy-5-[(2S,3aR,5R,5'R,6R,6''R,7aR)-2-{(R)-hydroxy[(2R,5S,6S)-2-hydroxy-5-methyl-6-{3-[(2S,2'R,3S,5R,6'R,8'S,10'S)-3,5,10'-trimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1 .0~2,6~]dodecan]-8'-yl]-1-propen-2-yl}tetrahydro-2H-pyran-2-yl]methyl}-4'',6-dimethyl-2,3,3',3'',3a,4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl]-4-pentenoic acid

• SMILES

  C[C@H]1CC[C@@](O[C@@H]1C(=C)C[C@@]23C[C@H](C[C@H](O2)[C@@H]4[C@H](O3)C[C@]5(O4)[C@H](C[C@H](CN5)C)C)C)([C@@H]([C@@H]6C[C@@H]7[C@H](O6)C[C@H]([C@@]8(O7)CC[C@@]9(O8)CC(=C[C@H](O9)/C=C/[C@@H](CC(=O)O)O)C)C)O)O

• Std. InChi

  InChI=1S/C47H71NO13/c1-25-15-33(9-8-32(49)18-39(50)51)55-43(20-25)12-13-47(61-43)31(7)17-34-35(58-47)19-37(54-34)42(52)46(53)11-10-28(4)40(60-46)29(5)22-44-21-26(2)16-36(56-44)41-38(57-44)23-45(59-41)30(6)14-27(3)24-48-45/h8-9,15,26-28,30-38,40-42,48-49,52-53H,5,10-14,16-24H2,1-4,6-7H3,(H,50,51)/b9-8+/t26-,27+,28-,30-,31+,32-,33+,34+,35+,36?,37-,38+,40-,41+,42+,43+,44-,45-,46+,47+/m0/s1

• Std. InChIKey

  BHQGPJLTVIGZOC-QOMMTXENSA-N

• Cite this record

  CSID:40256752, http://www.chemspider.com/Chemical-Structure.40256752.html (accessed 18:03, Jun 1, 2024)