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Chemical structure of 4-oxo-27-TBDMS Withaferin A

GC45353

4-oxo-27-TBDMS Withaferin A

Also known as (1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-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-ene-3,6-dione

4-oxo-27-TBDMS Withaferin A, a withaferin A derivative, exhibits potent antiproliferative effects on the tumor cells·4-oxo-27-TBDMS Withaferin A induces tumor cells apoptosis· 4-oxo-27-TBDMS Withaferin A is a anticancer agent

ChemicalCAS1214886-31-3MW582.9FormulaC34H50O6Si
CAS number
1214886-31-3
Molecular weight
582.9
Formula
C34H50O6Si
Solubility
DMF: 5mg/mL,DMSO: 5mg/mL,DMSO:PBS (pH 7·2) (1:1): 0·5mg/mL
InChIKey
RZWFBNOFUAHADD-VTYRCZOESA-N
Catalogue number
GC45353
Brand
GLPBIO
Computed properties PubChem CID 66572431 · TPSA 82.2 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
82.2 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
41

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=CC6=O)C)O5)C)CO[Si](C)(C)C(C)(C)C

Computed descriptors from PubChem (CID 66572431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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