YAC_4B (Compound 14) Rotenone.hsqc
URL: https://nmrxiv.org/D2227
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_4B (Compound 14) Rotenone.hsqc
Chemical Info
| InChI |
InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
| SMILES |
C=C(C)[C@H]1CC2=C(C=CC3=C2O[C@@H]2COC4=CC(OC)=C(OC)C=C4[C@@H]2C3=O)O1 |
| InChI Key |
JUVIOZPCNVVQFO-HBGVWJBISA-N |
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