7alpha-Acetoxy-6beta-hydroxyroyleanone
TL;DR: 7alpha-Acetoxy-6beta-hydroxyroyleanone (CAS 57932-74-8) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
Also Known As: 7a-acetoxy-6b-hydroxyroyleanone, 7alpha-Acetoxy-6beta-hydroxyroyleanone, 7alpha-Acetyl-6beta-hydroxyroyleanone, (4aS,9S,10S,10aS)-6,10-dihydroxy-1,1,4a-trimethyl-5,8-dioxo-7-(propan-2-yl)-1,2,3,4,4a,5,8,9,10,10a-decahydrophenanthren-9-yl acetate, (4aS,9S,10S,10aS)-6,10-Dihydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-1,2,3,4,4a,5,8,9,10,10a-decahydrophenanthren-9-yl acetate
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 3.0417 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 814.8836 |
Chemical Identifiers
| CAS Number | 57932-74-8 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3[C@@H]([C@H]2OC(=O)C)O)(C)C)C)O |
Product Overview
7alpha-Acetoxy-6beta-hydroxyroyleanone (CAS 57932-74-8), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: [(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate.
Chemical Property Profile of 7alpha-Acetoxy-6beta-hydroxyroyleanone
Property Insights of 7alpha-Acetoxy-6beta-hydroxyroyleanone
The XLogP value of 3.0417 indicates that 7alpha-Acetoxy-6beta-hydroxyroyleanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha-Acetoxy-6beta-hydroxyroyleanone. Following Lipinski's Rule of Five, 7alpha-Acetoxy-6beta-hydroxyroyleanone has 2 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 7alpha-Acetoxy-6beta-hydroxyroyleanone?
The CAS number of 7alpha-Acetoxy-6beta-hydroxyroyleanone is 57932-74-8.
What is the molecular formula of 7alpha-Acetoxy-6beta-hydroxyroyleanone?
The molecular formula of 7alpha-Acetoxy-6beta-hydroxyroyleanone is C22H30O6.
What is the molecular weight of 7alpha-Acetoxy-6beta-hydroxyroyleanone?
The molecular weight of 7alpha-Acetoxy-6beta-hydroxyroyleanone is 390.20 g/mol.
Where can I buy 7alpha-Acetoxy-6beta-hydroxyroyleanone?
You can request a quote for 7alpha-Acetoxy-6beta-hydroxyroyleanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Acetoxy-6beta-hydroxyroyleanone?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Acetoxy-6beta-hydroxyroyleanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.