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Withanolide A

CAT: 0931-TN2309-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TN2309-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32911-62-9
Target
Gamma-secretase, EGFR, Apoptosis, NF-κB, TNF
Related Pathways
NF-κB, Neuroscience, Proteases/Proteasome, Angiogenesis, JAK/STAT signaling, Tyrosine Kinase/Adaptors, Apoptosis, Stem Cells
Purity
0.995
Bioactivity
Withanolide A extends the lifespan in human EGFR-driven cancerous Caenorhabditis elegans.
Smiles
[H][C@@]12CC[C@H]([C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C
Molecular Formula
C28H38O6
Molecular Weight
470.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Withanolide A

Withanolide A is a withanolide.

CAS Number32911-62-9
PubChem CID11294368
IUPAC Name(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Molecular FormulaC28H38O6
Molecular Weight470.6
XLogP3.3
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity1030
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C
InChI
InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
InChIKey
DXWHOKCXBGLTMQ-SFQAJKIESA-N
Chemical Structure
2D Structure
2D structure of Withanolide A
CAS: 32911-62-9
CID: 11294368
Formula: C28H38O6
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass470.26683893
Monoisotopic Mass470.26683893
Topological Polar Surface Area96.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N9061-01Withanolide S

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