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Methyl spongine-13(14),16-dien-19-oate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl spongine-13(14),16-dien-19-oate
SpectraBase Compound ID KplDf2MJvCS
InChI InChI=1S/C21H30O3/c1-19-11-8-17-20(2,9-5-10-21(17,3)18(22)23-4)16(19)7-6-14-12-24-13-15(14)19/h12-13,16-17H,5-11H2,1-4H3/t16?,17?,19-,20+,21-/m0/s1
InChIKey IGYDONOPDSVEGH-CDTIHJJTSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YNlNvFmreR
Name Methyl spongine-13(14),16-dien-19-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-19-11-8-17-20(2,9-5-10-21(17,3)18(22)23-4)16(19)7-6-14-12-24-13-15(14)19/h12-13,16-17H,5-11H2,1-4H3/t16?,17?,19-,20+,21-/m0/s1
InChIKey IGYDONOPDSVEGH-CDTIHJJTSA-N
Molecular Weight 330.468 g/mol
SMILES [C@]12(C=3C(=COC3)CCC2[C@]2(CCC[C@@](C2CC1)(C(=O)OC)C)C)C