Chamaepitin
TL;DR: Chamaepitin (CAS 109792-19-0) is a chemical compound with molecular formula C31H46O13 and molecular weight 626.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
| Molecular Formula | C31H46O13 |
|---|---|
| Molecular Weight | 626.29 g/mol |
| LogP | 1.6329 |
| Topological Polar Surface Area | 176.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 626.2938 |
| Heavy Atoms | 44 |
| Complexity | 1139.3892 |
Chemical Identifiers
| CAS Number | 109792-19-0 |
|---|---|
| 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 |
Product Overview
Chamaepitin (CAS 109792-19-0), with molecular formula C31H46O13 and molecular weight 626.29 g/mol. IUPAC: [(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.
Chemical Property Profile of Chamaepitin
Property Insights of Chamaepitin
The XLogP value of 1.6329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chamaepitin. The TPSA of 176.65 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
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 626.29 g/mol.
Where can I buy Chamaepitin?
You can request a quote for Chamaepitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chamaepitin?
Yes, KEHONG BIO provides custom synthesis services for Chamaepitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.