Deoxytifruticin
TL;DR: Deoxytifruticin (CAS 56377-63-0) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,7E,9S,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: Deoxytifruticin, (3aR,4R,6R,9S,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate, (Z)-2-Methyl-2-butenoic acid (3aR,4R,6R,7E,9S,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [(3aR,4R,6R,7E,9S,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,9,11a-octahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),6R*,7E,9S*,10Z,11aR*]]-
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.9803 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 697.08997 |
Chemical Identifiers
| CAS Number | 56377-63-0 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1C[C@@](/C=C/[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)(C)O |
Product Overview
Deoxytifruticin (CAS 56377-63-0), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(3aR,4R,6R,7E,9S,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Deoxytifruticin
Property Insights of Deoxytifruticin
The XLogP value of 1.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxytifruticin. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxytifruticin. Following Lipinski's Rule of Five, Deoxytifruticin 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 Deoxytifruticin?
The CAS number of Deoxytifruticin is 56377-63-0.
What is the molecular formula of Deoxytifruticin?
The molecular formula of Deoxytifruticin is C20H26O6.
What is the molecular weight of Deoxytifruticin?
The molecular weight of Deoxytifruticin is 362.17 g/mol.
Where can I buy Deoxytifruticin?
You can request a quote for Deoxytifruticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxytifruticin?
Yes, KEHONG BIO provides custom synthesis services for Deoxytifruticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.