Withaferin A

Datasheet MSDS
Catalog Number
ANC05909
Product Name
Withaferin A
Structure
Withaferin A
CAS Number
5119-48-2
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
Synonyms
NSC273757; UNII-L6DO3QW4K5; D004; NSC101088
Molecular Formula
C28H38O6
Molecular Weight
470.6
Appearance
Light Yellow Solid
Purity
≥96%
Density
1.28g/cm3
Solubility
Soluble in DMSO, Methanol
Melting Point
241-246°C
Boiling Point
680.7°C@760mmHg
Storage
Store at -20°C
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
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
InChI Key
DBRXOUCRJQVYJQ-CKNDUULBSA-N
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