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Kipukasin A, tms
SpectraBase Compound ID L2UcdNPX1bm
InChI InChI=1S/C24H32N2O10Si/c1-13-10-15(31-3)11-16(32-4)19(13)23(29)36-20-17(12-33-37(5,6)7)35-22(21(20)34-14(2)27)26-9-8-18(28)25-24(26)30/h8-11,17,20-22H,12H2,1-7H3,(H,25,28,30)/t17-,20-,21-,22-/m1/s1
InChIKey PNOBSKLXZQKEBV-BRKWEVRTSA-N
Mol Weight 536.6 g/mol
Molecular Formula C24H32N2O10Si
Exact Mass 536.182622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjthE1QDRVG
Name Kipukasin A, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.182621763 u
Formula C24H32N2O10Si
InChI InChI=1S/C24H32N2O10Si/c1-13-10-15(31-3)11-16(32-4)19(13)23(29)36-20-17(12-33-37(5,6)7)35-22(21(20)34-14(2)27)26-9-8-18(28)25-24(26)30/h8-11,17,20-22H,12H2,1-7H3,(H,25,28,30)/t17-,20-,21-,22-/m1/s1
InChIKey PNOBSKLXZQKEBV-BRKWEVRTSA-N
Molecular Weight 536.609 g/mol
SMILES C(C1=C(C=C(C=C1C)OC)OC)(=O)O[C@@]1([C@](O[C@@](N2C(NC(=O)C=C2)=O)([C@@]1(OC(C)=O)[H])[H])(CO[Si](C)(C)C)[H])[H]