Withangulatin A
TL;DR: Withangulatin A (CAS 120824-03-5) is a chemical compound with molecular formula C30H38O8 and molecular weight 526.25665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,6S,7R,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-13-yl] acetate
Also Known As: Withangulatin A, Withagulatin A, HY-N10303, [(1S,2R,6S,7R,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-13-yl] acetate, 4,14-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,16,24-trien-15-yl acetate
Technical Specifications
| Molecular Formula | C30H38O8 |
| Molecular Weight | 526.25665 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.25665 Da |
| Heavy Atoms | 38 |
| Complexity | 1230.0 |
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@H](C)C2=C[C@@H]([C@@]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)O)OC(=O)C)C |
| InChIKey | PLPXOWZTDPJPHC-ISIACCJKSA-N |
Chemical Property Profile of Withangulatin A
Property Insights of Withangulatin A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Withangulatin A. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Withangulatin A. Following Lipinski's Rule of Five, Withangulatin A has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Withangulatin A?
The CAS number of Withangulatin A is 120824-03-5.
What is the molecular formula of Withangulatin A?
The molecular formula of Withangulatin A is C30H38O8.
What is the molecular weight of Withangulatin A?
The molecular weight of Withangulatin A is 526.25665 g/mol.
Where can I buy Withangulatin A?
You can request a quote for Withangulatin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Withangulatin A?
Yes, CoreyChem provides custom synthesis services for Withangulatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.