Vedelianin
TL;DR: Vedelianin (CAS 142409-07-2) is a chemical compound with molecular formula C29H36O6 and molecular weight 480.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
Also Known As: Vedelianin, (+)-vedelianin, J2.448.811J, (2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol, (2S,3R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol
| Molecular Formula | C29H36O6 |
|---|---|
| Molecular Weight | 480.25 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.2512 |
| Heavy Atoms | 35 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 142409-07-2 |
|---|---|
| SMILES | CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)O)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)C |
| InChIKey | OYMAGMAEFPAAGU-HKYLTJPLSA-N |
Product Overview
Vedelianin (CAS 142409-07-2), with molecular formula C29H36O6 and molecular weight 480.25 g/mol. IUPAC: (2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol.
Chemical Property Profile of Vedelianin
Property Insights of Vedelianin
The XLogP value of 5.7 indicates that Vedelianin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vedelianin. Following Lipinski's Rule of Five, Vedelianin has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vedelianin?
The CAS number of Vedelianin is 142409-07-2.
What is the molecular formula of Vedelianin?
The molecular formula of Vedelianin is C29H36O6.
What is the molecular weight of Vedelianin?
The molecular weight of Vedelianin is 480.25 g/mol.
Where can I buy Vedelianin?
You can request a quote for Vedelianin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vedelianin?
Yes, KEHONG BIO provides custom synthesis services for Vedelianin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.