Products 21902-96-5
CAS 21902-96-5 is the registry number for 2,3-Dihydro-3-methoxywithaferin A. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one (CAS 21902-96-5) is a chemical compound with the molecular formula C29H42O7 and a molecular weight of 502.6 g/mol. IUPAC name: (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one. InChIKey: MKTMIPAPOLDOQT-JNGZIRSDSA-N.
| Molecular formula | C29H42O7 |
|---|---|
| Molecular weight | 502.6 g/mol |
| IUPAC name | (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one |
| InChIKey | MKTMIPAPOLDOQT-JNGZIRSDSA-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]5[C@]6([C@@]4(C(=O)CC([C@@H]6O)OC)C)O5)C)CO |
Computed by PubChem (NCBI)
Synonyms:
2,3-Dihydro-3-methoxywithaferin A, orb1984260