azaspiracid

More details:

• Systematic name

  (4E)-5-[(2S,3aR,5R,5'R,6R,6''R,7aR)-2-{(R)-Hydroxy[(2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-6-{3-[(1'R,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}-6-methyl-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

  O=C(O)CC/C=C/[C@H]\9O[C@]8(O[C@]1(O[C@@H]2C[C@H](O[C@@H]2C[C@H]1C)[C@@H](O)[C@]7(O)O[C@H](\C(=C)C[C@@]53O[C@H](C[C@H](C)C3)[C@H]6O[C@@]4(NC[C@H](C)C[C@@H]4C)C[C@H]6O5)[C@H](C[C@H]7C)C)CC8)C/C=C/9

• 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/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(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

  BVZWTQCTAVYACS-KVMDXSSSSA-N

• Cite this record

  CSID:9724424, http://www.chemspider.com/Chemical-Structure.9724424.html (accessed 07:11, Apr 16, 2024)