3,16-Dihydroxy-13,28-epoxyoleanan-29-al
TL;DR: 3,16-Dihydroxy-13,28-epoxyoleanan-29-al (CAS 5172-34-9) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Also Known As: Cyclamiretin A, 3,16-Dihydroxy-13,28-epoxyoleanan-29-al, (5xi,13xi,17xi)-3beta,16alpha-Dihydroxy-13,28-epoxyoleanan-29-al, (2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosane-20-carbaldehyde, (2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 5.5315 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 900.2362 |
Chemical Identifiers
| CAS Number | 5172-34-9 |
|---|---|
| SMILES | C[C@]1(CCC23COC4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C(C6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O)C)C=O |
Product Overview
3,16-Dihydroxy-13,28-epoxyoleanan-29-al (CAS 5172-34-9), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (2R,4S,5R,10S,13R,14R,18R,20R)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde.
Chemical Property Profile of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al
Property Insights of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al
The XLogP value of 5.5315 indicates that 3,16-Dihydroxy-13,28-epoxyoleanan-29-al is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,16-Dihydroxy-13,28-epoxyoleanan-29-al. Following Lipinski's Rule of Five, 3,16-Dihydroxy-13,28-epoxyoleanan-29-al has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al?
The CAS number of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al is 5172-34-9.
What is the molecular formula of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al?
The molecular formula of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al is C30H48O4.
What is the molecular weight of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al?
The molecular weight of 3,16-Dihydroxy-13,28-epoxyoleanan-29-al is 472.36 g/mol.
Where can I buy 3,16-Dihydroxy-13,28-epoxyoleanan-29-al?
You can request a quote for 3,16-Dihydroxy-13,28-epoxyoleanan-29-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,16-Dihydroxy-13,28-epoxyoleanan-29-al?
Yes, KEHONG BIO provides custom synthesis services for 3,16-Dihydroxy-13,28-epoxyoleanan-29-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.