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Calamistrin C

View entire compound with spectra: 2 MS (GC)

Calamistrin C
SpectraBase Compound ID IAL4kYDSVMw
InChI InChI=1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3
InChIKey JOHOCUBTTQAHLI-UHFFFAOYSA-N
Mol Weight 608.9 g/mol
Molecular Formula C37H68O6
Exact Mass 608.50159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGstFyeeq8d
Name Calamistrin C
Alternate Name(s) Calamistrin D 2-[17'-(2''-Oxo-5''-methyl-2'',5''-dihydrofuran-3''-yl)-1',7'-dihydroxyheptadecyl]-5-(1'''-hydroxyundecyl)-tetrahydrofuran, C isomer 2-[17'-(2''-Oxo-5''-methyl-2'',5''-dihydrofuran-3''-yl)-1',7'-dihydroxyheptadecyl]-5-(1'''-hydroxyundecyl)-tetrahydrofuran, D isomer 3-{11,17-dihydroxy-17-[5-(1-hydroxyundecyl)tetrahydro-2-furanyl]heptadecyl}-5-methyl-2(5H)-furanone
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Formula C37H68O6
InChI InChI=1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3
InChIKey JOHOCUBTTQAHLI-UHFFFAOYSA-N
Molecular Weight 608.945 g/mol
SMILES OC(CCCCCC(C1OC(C(O)CCCCCCCCCC)CC1)O)CCCCCCCCCCC=1C(OC(C)C1)=O
SPLASH splash10-000t-0029400000-17ec5a4d2e7cab9520dc
Source of Spectrum G4-63-1203-1
Wiley ID 1608585