FCMD
Food Contact Materials Database
(2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R,6S)-1,5,6-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CAS Number: 1027208-16-7
IUPAC name: (2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R,6S)-1,5,6-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Molecular formula: C37H66O9
Molecular weight: 654.9
InChI: InChI=1S/C37H66O9/c1-3-4-8-17-29(39)30(40)19-13-20-32(42)34-22-24-36(46-34)35-23-21-33(45-35)31(41)18-12-11-16-28(38)15-10-7-5-6-9-14-27-25-26(2)44-37(27)43/h25-26,28-36,38-42H,3-24H2,1-2H3/t26-,28+,29-,30+,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey: GADVYYZGTRFGQN-QPQOCZBZSA-N
SMILES: CCCCC[C@@H]([C@@H](CCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCC[C@@H](CCCCCCCC3=C[C@@H](OC3=O)C)O)O)O)O)O
EINECS: -
