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(3S,6R)-6-Acetoxy-3-(N-1-naphthyl)carbamoyloxy-2,6-dimethyloct-7-en-2-ol
SpectraBase Compound ID DuBwf6UzcGA
InChI InChI=1S/C23H29NO5/c1-6-23(5,29-16(2)25)15-14-20(22(3,4)27)28-21(26)24-19-13-9-11-17-10-7-8-12-18(17)19/h6-13,20,27H,1,14-15H2,2-5H3,(H,24,26)/t20-,23-/m0/s1
InChIKey SPEZHRLXGDSTNO-REWPJTCUSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GCISLZLzgi
Name (3S,6R)-6-Acetoxy-3-(N-1-naphthyl)carbamoyloxy-2,6-dimethyloct-7-en-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.204573033 u
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-6-23(5,29-16(2)25)15-14-20(22(3,4)27)28-21(26)24-19-13-9-11-17-10-7-8-12-18(17)19/h6-13,20,27H,1,14-15H2,2-5H3,(H,24,26)/t20-,23-/m0/s1
InChIKey SPEZHRLXGDSTNO-REWPJTCUSA-N
Molecular Weight 399.487 g/mol
SMILES C(NC1=C2C(C=CC=C2)=CC=C1)(O[C@](C(O)(C)C)(CC[C@@](OC(=O)C)(C=C)C)[H])=O