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N-(Benzyloxycarbonyl)amino-11,15-dimethyl-N,2;4,5-O;13,14-O-tri(isopropylidene)heptadecan-2,4,5,13,14-pentaol (acetonide)
SpectraBase Compound ID JrvX4wBAGaU
InChI InChI=1S/C36H59NO7/c1-10-26(3)32-31(43-36(8,9)44-32)21-25(2)17-13-11-16-20-29-30(42-35(6,7)41-29)22-28-23-37(34(4,5)40-28)33(38)39-24-27-18-14-12-15-19-27/h12,14-15,18-19,25-26,28-32H,10-11,13,16-17,20-24H2,1-9H3/t25-,26+,28-,29+,30-,31-,32+/m0/s1
InChIKey KKUNUEINHHADGF-RXLJJRDYSA-N
Mol Weight 617.9 g/mol
Molecular Formula C36H59NO7
Exact Mass 617.429153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jNi05CPIxY
Name N-(Benzyloxycarbonyl)amino-11,15-dimethyl-N,2;4,5-O;13,14-O-tri(isopropylidene)heptadecan-2,4,5,13,14-pentaol (acetonide)
Alternate Name(s) benzyl (5S)-5-{[(4S,5R)-5-((6S)-7-{(4S,5R)-2,2-dimethyl-5-[(1R)-1-methylpropyl]-1,3-dioxolan-4-yl}-6-methylheptyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
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Formula C36H59NO7
InChI InChI=1S/C36H59NO7/c1-10-26(3)32-31(43-36(8,9)44-32)21-25(2)17-13-11-16-20-29-30(42-35(6,7)41-29)22-28-23-37(34(4,5)40-28)33(38)39-24-27-18-14-12-15-19-27/h12,14-15,18-19,25-26,28-32H,10-11,13,16-17,20-24H2,1-9H3/t25-,26+,28-,29+,30-,31-,32+/m0/s1
InChIKey KKUNUEINHHADGF-RXLJJRDYSA-N
Molecular Weight 617.868 g/mol
SMILES C1(N(C[C@@](O1)(C[C@@]1(OC(C)(C)O[C@@]1(CCCCC[C@@](C[C@@]1(OC(C)(C)O[C@@]1([C@@](CC)(C)[H])[H])[H])(C)[H])[H])[H])[H])C(OCc1ccccc1)=O)(C)C
SPLASH splash10-0006-9000000000-5551ccc0ff416889c187
Source of Spectrum F-50-13357-7
Wiley ID 790353