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Kipukasin I, N,o,o,o-tetrakismethyl

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Kipukasin I, N,o,o,o-tetrakismethyl
SpectraBase Compound ID LkG3UuWaPKY
InChI InChI=1S/C22H28N2O9/c1-12-9-13(29-4)10-14(30-5)17(12)21(26)33-18-15(11-28-3)32-20(19(18)31-6)24-8-7-16(25)23(2)22(24)27/h7-10,15,18-20H,11H2,1-6H3/t15-,18-,19-,20-/m1/s1
InChIKey HQVSKWILHCYVCP-HUYLIWGRSA-N
Mol Weight 464.47 g/mol
Molecular Formula C22H28N2O9
Exact Mass 464.17948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsmexlbKidq
Name Kipukasin I, N,o,o,o-tetrakismethyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.179480481 u
Formula C22H28N2O9
InChI InChI=1S/C22H28N2O9/c1-12-9-13(29-4)10-14(30-5)17(12)21(26)33-18-15(11-28-3)32-20(19(18)31-6)24-8-7-16(25)23(2)22(24)27/h7-10,15,18-20H,11H2,1-6H3/t15-,18-,19-,20-/m1/s1
InChIKey HQVSKWILHCYVCP-HUYLIWGRSA-N
Molecular Weight 464.471 g/mol
SMILES C(C1=C(C=C(C=C1C)OC)OC)(=O)O[C@@]1([C@](O[C@@](N2C(N(C(C=C2)=O)C)=O)([C@@]1(OC)[H])[H])(COC)[H])[H]