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Schizandrin, me derivative

View entire compound with spectra: 1 NMR

Schizandrin, me derivative
SpectraBase Compound ID Euyr8gqQBvm
InChI InChI=1S/C25H34O7/c1-14-10-15-11-17(26-3)21(28-5)23(30-7)19(15)20-16(13-25(14,2)32-9)12-18(27-4)22(29-6)24(20)31-8/h11-12,14H,10,13H2,1-9H3/t14-,25-/m0/s1
InChIKey XCJRBRLVSVUWMX-SXBQZSJRSA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQRzwIALxF8
Name Schizandrin, me derivative
Comments Computed using HOSE algorithm
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Exact Mass 446.230453428 u
Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-14-10-15-11-17(26-3)21(28-5)23(30-7)19(15)20-16(13-25(14,2)32-9)12-18(27-4)22(29-6)24(20)31-8/h11-12,14H,10,13H2,1-9H3/t14-,25-/m0/s1
InChIKey XCJRBRLVSVUWMX-SXBQZSJRSA-N
Molecular Weight 446.540 g/mol
SMILES C12=C(C3=C(C[C@@]([C@](C2)(OC)C)(C)[H])C=C(C(=C3OC)OC)OC)C(=C(C(=C1)OC)OC)OC