(+)-Azaspiracid-1

More details:

• Systematic name

  (4E)-5-[(2R,3aS,5S,5'S,6S,6''S,7aS)-2-{(S)-Hydroxy[(2S,3S,5R,6R)-2-hydroxy-3,5-dimethyl-6-{3-[(1'S,2R,2'S,3R,5S,6'S,8'R,10'R)-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

  C[C@@H]1C[C@H]2[C@H]3[C@H](C[C@@]4(O3)[C@@H](C[C@@H](CN4)C)C)O[C@@](C1)(O2)CC(=C)[C@H]5[C@@H](C[C@@H]([C@](O5)([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/CCC(=O)O)C)O)O)C)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/h8,10-12,26-28,30-38,40-42,48,51-52H,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+/m1/s1

• Std. InChIKey

  BVZWTQCTAVYACS-LHNLHZPZSA-N

• Cite this record

  CSID:29783960, http://www.chemspider.com/Chemical-Structure.29783960.html (accessed 09:25, Apr 26, 2024)