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26-Amino-10,14,16,18-tetramethyl-hexacosa-12,22-diene-1,3,5,7,9,11,15-heptaol
SpectraBase Compound ID LNaZgiwRAna
InChI InChI=1S/C30H59NO7/c1-21(11-9-7-5-6-8-10-15-31)17-23(3)30(38)22(2)12-13-28(36)24(4)29(37)20-27(35)19-26(34)18-25(33)14-16-32/h5-6,12-13,21-30,32-38H,7-11,14-20,31H2,1-4H3/b6-5+,13-12+
InChIKey OUNNYPUTQYMBAL-LHELVOSYSA-N
Mol Weight 545.8 g/mol
Molecular Formula C30H59NO7
Exact Mass 545.429153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IX0xY1PpRS
Name 26-Amino-10,14,16,18-tetramethyl-hexacosa-12,22-diene-1,3,5,7,9,11,15-heptaol
Comments Computed using HOSE algorithm
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Exact Mass 545.429153237 u
Formula C30H59NO7
InChI InChI=1S/C30H59NO7/c1-21(11-9-7-5-6-8-10-15-31)17-23(3)30(38)22(2)12-13-28(36)24(4)29(37)20-27(35)19-26(34)18-25(33)14-16-32/h5-6,12-13,21-30,32-38H,7-11,14-20,31H2,1-4H3/b6-5+,13-12+
InChIKey OUNNYPUTQYMBAL-LHELVOSYSA-N
Molecular Weight 545.802 g/mol
SMILES C(CC\C=C\CCCC(C)CC(C)C(C(C)\C=C\C(C(C)C(O)CC(O)CC(O)CC(CCO)O)O)O)N