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| CAS No.: | 173614-88-5 |
| Molecular Formula | C₂₈H₄₀O₇ |
| Molecular Weight | 488.60 g/mol |
| Purity | HPLC≥98% |
| Chemical Family | Other Compounds |
| Weight |
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* Warning: BIORLAB’s Natural Compounds are for laboratory research purposes only.
2,3-Didehydrosomnifericin is a compound identified in Withania somnifera.
IUPAC Name: (2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5S,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
InChI: InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1
InChIKey: MYGPMUHRIQQNSB-DAKZBPTQSA-N
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@]5([C@@]4(C(=O)C=C[C@@H]5O)C)O)O)C)CO
Synonyms: 2,3-Didehydrosomnifericin; 173614-88-5; (2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5S,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one; 2,3-Dehydrosomnifericin; CHEMBL2047416; HY-N5069; AKOS040760195; FS-7447; …
Botanical Source: Belladonna (Atropa belladonna)
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