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2-[13'-(2"-Oxo-5"-methyl-2",5"-dihydrofuran-3''-yl)-1',11'-dihydroxytridecyl]-5-(1"'-hydroxypentadec-4"'-en-1"'-yl)-tetrahydrofuran
SpectraBase Compound ID EHeOjiJmruy
InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-
InChIKey KQNMHWSOZBGQAZ-VKAVYKQESA-N
Mol Weight 606.9 g/mol
Molecular Formula C37H66O6
Exact Mass 606.48594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3aakfo11Qf
Name 2-[13'-(2"-Oxo-5"-methyl-2",5"-dihydrofuran-3''-yl)-1',11'-dihydroxytridecyl]-5-(1"'-hydroxypentadec-4"'-en-1"'-yl)-tetrahydrofuran
Alternate Name(s) 2-[17'-(2''-Oxo-5''-methyl-2'',5''-dihydrofuran-3''-yl)-1',7'-dihydroxyheptadecyl]-5-(1'''-hydroxyundec-4'''-en-1'''-yl)-tetrahydrofuran 3-(3,13-dihydroxy-13-{5-[(4Z)-1-hydroxy-4-pentadecenyl]tetrahydro-2-furanyl}tridecyl)-5-methyl-2(5H)-furanone Calamistrin E
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Formula C37H66O6
InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-
InChIKey KQNMHWSOZBGQAZ-VKAVYKQESA-N
Molecular Weight 606.929 g/mol
SMILES OC(CCCCCCCCCC(C1OC(C(O)CC\C=C/CCCCCCCCCC)CC1)O)CCC=1C(OC(C)C1)=O
SPLASH splash10-01ox-0397000000-42c5723efe08e093c377
Source of Spectrum G4-63-1203-3
Wiley ID 1608583