16-Acetoxy-7alpha-methoxyroyleanone
TL;DR: 16-Acetoxy-7alpha-methoxyroyleanone (CAS 109974-33-6) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4bS,8aS)-1-hydroxy-10-methoxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
Also Known As: 16-Acetoxy-7alpha-methoxyroyleanone, 16-Acetoxy-7-methoxyroyleanone, 16-AC-7-MR, 14-Hydroxy-7-methoxy-11,12-dioxoabieta-8,13-dien-16-yl acetate, 1,4-Phenanthrenedione, 2-(2-(acetyloxy)-1-methylethyl)-4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy-10-methoxy-4b,8,8-trimethyl-
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 3.6974 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 817.2247 |
Chemical Identifiers
| CAS Number | 109974-33-6 |
|---|---|
| SMILES | CC(COC(=O)C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3CC2OC)(C)C)C)O |
Product Overview
16-Acetoxy-7alpha-methoxyroyleanone (CAS 109974-33-6), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: 2-[(4bS,8aS)-1-hydroxy-10-methoxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate.
Chemical Property Profile of 16-Acetoxy-7alpha-methoxyroyleanone
Property Insights of 16-Acetoxy-7alpha-methoxyroyleanone
The XLogP value of 3.6974 indicates that 16-Acetoxy-7alpha-methoxyroyleanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Acetoxy-7alpha-methoxyroyleanone. Following Lipinski's Rule of Five, 16-Acetoxy-7alpha-methoxyroyleanone 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 16-Acetoxy-7alpha-methoxyroyleanone?
The CAS number of 16-Acetoxy-7alpha-methoxyroyleanone is 109974-33-6.
What is the molecular formula of 16-Acetoxy-7alpha-methoxyroyleanone?
The molecular formula of 16-Acetoxy-7alpha-methoxyroyleanone is C23H32O6.
What is the molecular weight of 16-Acetoxy-7alpha-methoxyroyleanone?
The molecular weight of 16-Acetoxy-7alpha-methoxyroyleanone is 404.22 g/mol.
Where can I buy 16-Acetoxy-7alpha-methoxyroyleanone?
You can request a quote for 16-Acetoxy-7alpha-methoxyroyleanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Acetoxy-7alpha-methoxyroyleanone?
Yes, KEHONG BIO provides custom synthesis services for 16-Acetoxy-7alpha-methoxyroyleanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.