$75.00
| CAS No.: | 5119-48-2 |
| Molecular Formula | C₂₈H₃₈O₆ |
| Molecular Weight | 470.6g/mol |
| Purity | HPLC>98% |
| Chemical Family | Terpenoids |
| Weight |
|---|
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]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
InChI: InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
InChIKey: DBRXOUCRJQVYJQ-CKNDUULBSA-N
Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO
Isomeric 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)C=C[C@@H]6O)C)O5)C)CO
Synonyms: Withaferin A; 5119-48-2; Withaferine A; NSC 273757; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; CHEBI:69120; NSC-101088; NSC101088; …
Botanical Source:
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