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Daucoidin A, acetate

View entire compound with spectra: 1 NMR

Daucoidin A, acetate
SpectraBase Compound ID GYjD4wQvidF
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)28-21(4,5)19-18(25-12(3)22)16-14(26-19)9-7-13-8-10-15(23)27-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
InChIKey UGPGHYBHAGRUHW-JZWAJAMXSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoNSGrV9p0a
Name Daucoidin A, acetate
Comments Computed using HOSE algorithm
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Exact Mass 386.136553041 u
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)28-21(4,5)19-18(25-12(3)22)16-14(26-19)9-7-13-8-10-15(23)27-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
InChIKey UGPGHYBHAGRUHW-JZWAJAMXSA-N
Molecular Weight 386.400 g/mol
SMILES C(\C(=C/C)C)(=O)OC(C)(C)[C@]1(OC2=C(C=3OC(C=CC3C=C2)=O)[C@]1(OC(=O)C)[H])[H]