Wentilactone A
TL;DR: Wentilactone A (CAS 76235-83-1) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione
Also Known As: Wentilactone A, (E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate, 3H,8H-Furo(2',3',4':4,5)oxireno(7,8)naphtho(2,1-c)pyran-3,8-dione,1a,2,2a,4a,4b,6,9b,9c-octahydro-2-hydroxy-2a,9b-dimethyl-, (1aR,2R,2aR,4aR,4bR,9bS,9cS)-, (1S,2S,4R,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione, 3H,8H-FURO(2',3',4':4,5)OXIRENO(7,8)NAPHTHO(2,1-C)PYRAN-3,8-DIONE, 1A,2,2A,4A,4B,6,9B,9C-OCTAHYDRO-2-HYDROXY-2A,9B-DIMETHYL-, (1AR,2R,2AR,4AR,4BR,9BS,9CS)-
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 76235-83-1 |
|---|---|
| SMILES | C[C@@]12[C@@H]3[C@@H](C=C4COC(=O)C=C4[C@]3([C@H]5[C@@H]([C@@H]1O)O5)C)OC2=O |
| InChIKey | UBQJSYFOVWBSFP-XUBUYMCTSA-N |
Product Overview
Wentilactone A (CAS 76235-83-1), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: (1S,2S,4R,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione.
Chemical Property Profile of Wentilactone A
Property Insights of Wentilactone A
The XLogP value of -0.5 indicates that Wentilactone A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Wentilactone A. Following Lipinski's Rule of Five, Wentilactone A has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wentilactone A?
The CAS number of Wentilactone A is 76235-83-1.
What is the molecular formula of Wentilactone A?
The molecular formula of Wentilactone A is C16H16O6.
What is the molecular weight of Wentilactone A?
The molecular weight of Wentilactone A is 304.09 g/mol.
Where can I buy Wentilactone A?
You can request a quote for Wentilactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wentilactone A?
Yes, KEHONG BIO provides custom synthesis services for Wentilactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.