Ajugamarin F 4
TL;DR: Ajugamarin F 4 (CAS 122587-84-2) is a chemical compound with molecular formula C29H42O9 and molecular weight 534.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
Also Known As: Ajugamarin F 4, Ajugamarin F4, [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate, (1S)-2-{(4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2S)-2-methylbutanoate, 2-{8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl 2-methylbutanoate
| Molecular Formula | C29H42O9 |
|---|---|
| Molecular Weight | 534.28 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.2829 |
| Heavy Atoms | 38 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 122587-84-2 |
|---|---|
| SMILES | CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1CCCC23CO3)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4 |
| InChIKey | LJHYCABROUGORR-RHULUVNISA-N |
Product Overview
Ajugamarin F 4 (CAS 122587-84-2), with molecular formula C29H42O9 and molecular weight 534.28 g/mol. IUPAC: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate.
Chemical Property Profile of Ajugamarin F 4
Property Insights of Ajugamarin F 4
The XLogP value of 3.6 indicates that Ajugamarin F 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugamarin F 4. Following Lipinski's Rule of Five, Ajugamarin F 4 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajugamarin F 4?
The CAS number of Ajugamarin F 4 is 122587-84-2.
What is the molecular formula of Ajugamarin F 4?
The molecular formula of Ajugamarin F 4 is C29H42O9.
What is the molecular weight of Ajugamarin F 4?
The molecular weight of Ajugamarin F 4 is 534.28 g/mol.
Where can I buy Ajugamarin F 4?
You can request a quote for Ajugamarin F 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugamarin F 4?
Yes, KEHONG BIO provides custom synthesis services for Ajugamarin F 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.