Details of Daturametelin F
| IUPAC | (2R)-2-[(1S)-1-[(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one |
| Canonical Smiles | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C(C=C5C4(C(=O)CC=C5)C)O)C)COC6C(C(C(C(O6)CO)O)O)O |
| Inchi | ZKPXDCPRHDFPTL-UWOSJZGMSA-N |
| PubChem ID | 91895479 |
| Smiles | CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5C=CCC(=O)C5(C)C4CCC23C)C1 |
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