Cebellin D
TL;DR: Cebellin D (CAS 106759-33-5) is a chemical compound with molecular formula C20H25ClO7 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
Also Known As: Cebellin D, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl (2E)-4-hydroxy-2-methylbut-2-enoate, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate, (E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,6abeta,9abeta,9balpha)-dodecahydro-2-oxo-3,6-bis(methylene)-8alpha,9beta-dihydroxy-9-(chloromethyl)azuleno[4,5-b]furan]-4beta-yl ester, [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
| Molecular Formula | C20H25ClO7 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 0.8614 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.12888 |
| Heavy Atoms | 28 |
| Complexity | 744.83624 |
Chemical Identifiers
| CAS Number | 106759-33-5 |
|---|---|
| SMILES | C/C(=C\CO)/C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O |
Product Overview
Cebellin D (CAS 106759-33-5), with molecular formula C20H25ClO7 and molecular weight 412.13 g/mol. IUPAC: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate.
Chemical Property Profile of Cebellin D
Property Insights of Cebellin D
The XLogP value of 0.8614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cebellin D. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Cebellin D. Following Lipinski's Rule of Five, Cebellin D has 3 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 Cebellin D?
The CAS number of Cebellin D is 106759-33-5.
What is the molecular formula of Cebellin D?
The molecular formula of Cebellin D is C20H25ClO7.
What is the molecular weight of Cebellin D?
The molecular weight of Cebellin D is 412.13 g/mol.
Where can I buy Cebellin D?
You can request a quote for Cebellin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cebellin D?
Yes, KEHONG BIO provides custom synthesis services for Cebellin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.