Retinestatin_NMR deposit_240210.roesy
URL: https://nmrxiv.org/D2008
Dataset description:
This dataset contains NMR spectra obtained for the sample -Retinestatin_NMR deposit_240210 date: 2023/01/08 06:18:53.000 isFt: true name: Retinestatin_800MHz_DMSO type: NMR SPECTRUM...
Source: Retinestatin_NMR deposit_240210.roesy
Chemical Info
| InChI |
InChI=1S/C25H40O12/c1-3-4-5-6-7-8-9-10-14(26)12-25(35)23(33)21(32)19(30)16(37-25)11-15(27)18(29)20(31)22-17(28)13(2)24(34)36-22/h5-10,13-23,26-33,35H,3-4,11-12H2,1-2H3/b6-5+,8-7+,10-9+/t13-,14+,15-,16+,17-,18+,19+,20-,21-,22-,23-,25-/m0/s1 |
| SMILES |
CCC/C=C/C=C/C=C/[C@@H](O)C[C@]1(O)O[C@H](C[C@H](O)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@@H](C)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
| InChI Key |
MRCPQBDIQZUMSK-SZPBRFHXSA-N |
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