Products 949172-13-8
CAS 949172-13-8 appears in our catalog under these names: Withaphysalin S, Withaphysalin S. Offered by: GLPBio, MedChemExpress. Available pack sizes: 5mg, Get quote.
(1R,2S,3S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-3,18,19-trihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one (CAS 949172-13-8) is a chemical compound with the molecular formula C29H40O8 and a molecular weight of 516.6 g/mol. IUPAC name: (1R,2S,3S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-3,18,19-trihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one. InChIKey: NPXYPNIBFMPFKU-IIODSFQOSA-N.
| Molecular formula | C29H40O8 |
|---|---|
| Molecular weight | 516.6 g/mol |
| IUPAC name | (1R,2S,3S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-3,18,19-trihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one |
| InChIKey | NPXYPNIBFMPFKU-IIODSFQOSA-N |
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3C[C@@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(C(=O)C=CC6)C)O)O)[C@H](O2)OC)O)C)C |
Computed by PubChem (NCBI)
Synonyms:
Withaphysalin S, orb1681409