4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane
TL;DR: 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane (CAS 100009-94-7) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,4aS,5R,8aS)-8a-acetyloxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane, [(4S,4aS,5R,8aS)-8a-acetyloxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 8a-(acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4R-(4alpha(Z),4aalpha,5beta,8aalpha))-
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 3.57792 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 906.2618 |
Chemical Identifiers
| CAS Number | 100009-94-7 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)[C@]3([C@@]1([C@](CCC3)(C)O)C)OC(=O)C)OC=C2C |
Product Overview
4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane (CAS 100009-94-7), with molecular formula C22H28O7 and molecular weight 404.18 g/mol. IUPAC: [(4S,4aS,5R,8aS)-8a-acetyloxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane
Property Insights of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane
The XLogP value of 3.57792 indicates that 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane. Following Lipinski's Rule of Five, 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane has 1 hydrogen bond donor(s) and 7 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 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane?
The CAS number of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane is 100009-94-7.
What is the molecular formula of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane?
The molecular formula of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane is C22H28O7.
What is the molecular weight of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane?
The molecular weight of 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane is 404.18 g/mol.
Where can I buy 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane?
You can request a quote for 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane?
Yes, KEHONG BIO provides custom synthesis services for 4alpha-Hydroxy-6beta-angeloxy-10beta-acetoxy-9-oxofuranoeremophilane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.