YAC_4A (Compound 13) Tephrosin.tocsy
URL: https://nmrxiv.org/D2164
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_4A (Compound 13) Tephrosin.tocsy
Chemical Info
| InChI |
InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1 |
| SMILES |
COC1=C(OC)C=C2C(=C1)OC[C@H]1OC3=C(C=CC4=C3C=CC(C)(C)O4)C(=O)[C@@]21O |
| InChI Key |
AQBZCCQCDWNNJQ-AUSIDOKSSA-N |
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