(4E)-5-[(5R,5'R,6R,6''S)-2-{(R)-Hydroxy[(2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-6-{3-[(2S,3S,5R,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}-6-methyl-2,3,3',3a,4',5'',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

  (4E)-5-[(5R,5'R,6R,6''S)-2-{(R)-Hydroxy[(2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-6-{3-[(2S,3S,5R,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}-6-methyl-2,3,3',3a,4',5'',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]1C[C@@H]([C@@]2(CC3C(O2)C4C[C@@H](C[C@](O4)(O3)CC(=C)[C@@H]5[C@H](C[C@H]([C@@](O5)([C@@H](C6CC7C(O6)C[C@H]([C@@]8(O7)CC[C@@]9(O8)C=CC[C@H](O9)/C=C/CCC(=O)O)C)O)O)C)C)C)NC1)C

• Std. InChi

  InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-11,14,26-28,30-38,40-42,48,51-52H,4,9,12-13,15-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34?,35?,36?,37?,38?,40-,41?,42+,43-,44-,45-,46+,47+/m0/s1

• Std. InChIKey

  AHFHSIVCLPAESC-WWVKZEBRSA-N

• Cite this record

  CSID:57643616, http://www.chemspider.com/Chemical-Structure.57643616.html (accessed 11:37, Apr 25, 2024)