Chamaepitin
TL;DR: Chamaepitin (CAS 109792-19-0) is a chemical compound with molecular formula C31H46O13 and molecular weight 626.2938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate
Also Known As: CHAMAEPITIN, (4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-[(3aS,6aR)-5-hydroxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S,3R)-3-(acetyloxy)-2-methylbutanoate, [(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate, 8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-(5-hydroxyhexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 3-(acetyloxy)-2-methylbutanoate
Technical Specifications
| Molecular Formula | C31H46O13 |
| Molecular Weight | 626.2938 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 626.2938 Da |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4CC(O[C@H]4O3)O)CC(C(C25CO5)OC(=O)[C@@H](C)[C@@H](C)OC(=O)C)O)COC(=O)C)OC(=O)C |
| InChIKey | RPBYNKFFNMBQPP-IWBKQXPLSA-N |
Chemical Property Profile of Chamaepitin
Property Insights of Chamaepitin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chamaepitin. The TPSA of 177.0 Ų indicates high polarity, suggesting Chamaepitin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chamaepitin has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chamaepitin?
The CAS number of Chamaepitin is 109792-19-0.
What is the molecular formula of Chamaepitin?
The molecular formula of Chamaepitin is C31H46O13.
What is the molecular weight of Chamaepitin?
The molecular weight of Chamaepitin is 626.2938 g/mol.
Where can I buy Chamaepitin?
You can request a quote for Chamaepitin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chamaepitin?
Yes, CoreyChem provides custom synthesis services for Chamaepitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.