Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs.c13
URL: https://nmrxiv.org/D2232
Dataset description:
This dataset contains NMR spectra obtained for the sample -Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs date: 2015-08-31T21:04:21.000Z isFt: true name:...
Source: Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs.c13
Chemical Info
InChI
InChI=1S/C42H44O7/c1-24(2)17-19-28-34(46-5)23-35(47-6)36-30(21-32(48-41(28)36)26-13-9-7-10-14-26)37-39(44)29(20-18-25(3)4)42-38(40(37)45)31(43)22-33(49-42)27-15-11-8-12-16-27/h7-18,23,30,32-33,44-45H,19-22H2,1-6H3
SMILES
COC1=CC(OC)=C2C(=C1CC=C(C)C)OC(C1=CC=CC=C1)CC2C1=C(O)C(CC=C(C)C)=C2OC(C3=CC=CC=C3)CC(=O)C2=C1O
InChI Key
LHMWSPKXZZITTJ-UHFFFAOYSA-N
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