Elaeocarpusin
TL;DR: Elaeocarpusin (CAS 102382-31-0) is a chemical compound with molecular formula C47H34O32 and molecular weight 1110.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,4'R,5'S,6R,23'R,25'S,26'R,35'R,36'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate
Also Known As: Elaeocarpusin, .beta.-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2-5:4-4-(1,3'a,4,4a,5',6',6'a,9a-octahydro-1,3'a,6',7,8,9a-hexahydro-2',11-dioxospiro(1,4-ethano-3H-pyrano(3,4-b)benzofuran-3,3'(2'H)-furo(3,2-b)furan)-4,5-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), [(3S,3aR,6R)-3,6a-dodecahydroxy-5-hexaoxo-spiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,6'-[?]]yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C47H34O32 |
|---|---|
| Molecular Weight | 1110.10 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 515.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 3 |
| Exact Mass | 1110.1033 |
| Heavy Atoms | 79 |
| Complexity | 2570.0 |
Chemical Identifiers
| CAS Number | 102382-31-0 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2C(O1)([C@@]3(C(=O)O2)C45CC(=O)C(O3)([C@]6([C@@H]4C7=C(O6)C(=C(C=C7C(=O)O[C@@H]8[C@@H]9[C@@H]([C@@H](COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)O[C@H]8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)O)O)O)O)O)O |
| InChIKey | XCXWMHRRISFUFF-HPJHKSEOSA-N |
Product Overview
Elaeocarpusin (CAS 102382-31-0), with molecular formula C47H34O32 and molecular weight 1110.10 g/mol. IUPAC: [(3S,3aR,4'R,5'S,6R,23'R,25'S,26'R,35'R,36'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Elaeocarpusin
Property Insights of Elaeocarpusin
The XLogP value of -2.8 indicates that Elaeocarpusin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 515.0 Ų indicates high polarity, suggesting Elaeocarpusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elaeocarpusin has 15 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elaeocarpusin?
The CAS number of Elaeocarpusin is 102382-31-0.
What is the molecular formula of Elaeocarpusin?
The molecular formula of Elaeocarpusin is C47H34O32.
What is the molecular weight of Elaeocarpusin?
The molecular weight of Elaeocarpusin is 1110.10 g/mol.
Where can I buy Elaeocarpusin?
You can request a quote for Elaeocarpusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elaeocarpusin?
Yes, KEHONG BIO provides custom synthesis services for Elaeocarpusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.