Oolonghomobisflavan der.
TL;DR: Oolonghomobisflavan der. (CAS 176107-91-8) is a chemical compound with molecular formula C45H36O22 and molecular weight 928.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-8-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Oolonghomobisflavan der., (2R,3R)-8-(((2R,3R)-5,7-Dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2-(3,4,5-trihydroxyphenyl)chroman-6-yl)methyl)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate, (2r,3r)-6-{[(2r,3r)-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-8-yl]methyl}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate, (2R,3R)-8-{[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, [(2R,3R)-8-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C45H36O22 |
|---|---|
| Molecular Weight | 928.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 395.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 928.1698 |
| Heavy Atoms | 67 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 176107-91-8 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2CC3=C(C4=C(C=C3O)O[C@@H]([C@@H](C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChIKey | FKRUMFFNBGSGGM-WLDZFSAMSA-N |
Product Overview
Oolonghomobisflavan der. (CAS 176107-91-8), with molecular formula C45H36O22 and molecular weight 928.17 g/mol. IUPAC: [(2R,3R)-8-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Oolonghomobisflavan der.
Property Insights of Oolonghomobisflavan der.
The XLogP value of 4.5 indicates that Oolonghomobisflavan der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 395.0 Ų indicates high polarity, suggesting Oolonghomobisflavan der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oolonghomobisflavan der. has 16 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oolonghomobisflavan der.?
The CAS number of Oolonghomobisflavan der. is 176107-91-8.
What is the molecular formula of Oolonghomobisflavan der.?
The molecular formula of Oolonghomobisflavan der. is C45H36O22.
What is the molecular weight of Oolonghomobisflavan der.?
The molecular weight of Oolonghomobisflavan der. is 928.17 g/mol.
Where can I buy Oolonghomobisflavan der.?
You can request a quote for Oolonghomobisflavan der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oolonghomobisflavan der.?
Yes, KEHONG BIO provides custom synthesis services for Oolonghomobisflavan der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.