Guavin B
TL;DR: Guavin B (CAS 94530-90-2) is a chemical compound with molecular formula C33H26O17 and molecular weight 694.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
Also Known As: Guavin B, (11R,12R,13S)-13-(4-Benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione, (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, cyclic 4',6'-ester with (4-beta-D-glucopyranosyloxy)-2,6-(dihydroxyphenyl)phenylmethanone, stereoisomer, (13S,14R,15R)-13-(4-Benzoyl-3,5-dihydroxyphenoxy)-2,3,4,5,6,7,14,15-octahydroxy-11,11a,13,14,15,15a-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione, 13-(4-Benzoyl-3,5-dihydroxyphenoxy)-2,3,4,5,6,7,14,15-octahydroxy-11,11a,13,14,15,15a-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione
| Molecular Formula | C33H26O17 |
|---|---|
| Molecular Weight | 694.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 694.117 |
| Heavy Atoms | 50 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 94530-90-2 |
|---|---|
| SMILES | C1C2C([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)C4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| InChIKey | RPZNIDVYYGUDPA-JRFUOTGDSA-N |
Product Overview
Guavin B (CAS 94530-90-2), with molecular formula C33H26O17 and molecular weight 694.12 g/mol. IUPAC: (11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione.
Chemical Property Profile of Guavin B
Property Insights of Guavin B
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guavin B. The TPSA of 290.0 Ų indicates high polarity, suggesting Guavin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guavin B has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Guavin B?
The CAS number of Guavin B is 94530-90-2.
What is the molecular formula of Guavin B?
The molecular formula of Guavin B is C33H26O17.
What is the molecular weight of Guavin B?
The molecular weight of Guavin B is 694.12 g/mol.
Where can I buy Guavin B?
You can request a quote for Guavin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guavin B?
Yes, KEHONG BIO provides custom synthesis services for Guavin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.