[(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethyl-cyclohexylidene]vinyl]-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethyl-16-oxo-heptadeca-2,4,6,8,10,12,14-heptaenyl] butanoate

More details:

• Systematic name

  [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethyl-cyclohexylidene]vinyl]-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethyl-16-oxo-heptadeca-2,4,6,8,10,12,14-heptaenyl] butanoate

• SMILES

  CCCC(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O

• Std. InChi

  InChI=1S/C46H64O8/c1-12-17-41(50)52-31-36(24-25-40-42(6,7)28-38(53-35(5)47)29-44(40,10)51)23-16-21-33(3)19-14-13-18-32(2)20-15-22-34(4)39(49)30-46-43(8,9)26-37(48)27-45(46,11)54-46/h13-16,18-24,37-38,48,51H,12,17,26-31H2,1-11H3/b14-13+,20-15+,21-16+,32-18+,33-19+,34-22+,36-23-/t37-,38-,44+,45+,46-/m0/s1

• Std. InChIKey

  NEKQVGDUHFTLGS-XDYQMRIYSA-N

• Cite this record

  CSID:24823142, http://www.chemspider.com/Chemical-Structure.24823142.html (accessed 17:34, Apr 27, 2024)