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Seco-plakortide H methyl ester
SpectraBase Compound ID J7Hhysj0bs0
InChI InChI=1S/C22H40O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h11-12,15,18-20,23,25H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20-,22+/m1/s1
InChIKey JAGYGWPYZGEFSW-YNTZVALSSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FHNxtoOYzq
Name Seco-plakortide H methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.292659764 u
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h11-12,15,18-20,23,25H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20-,22+/m1/s1
InChIKey JAGYGWPYZGEFSW-YNTZVALSSA-N
Molecular Weight 368.558 g/mol
SMILES C(C(=O)OC)[C@]([C@@](C[C@](\C=C\(CC(\C=C\CC)CC)C)(O)CC)(CC)[H])(O)[H]