28-Hydroxyolean-12-en-3-yl acetate
TL;DR: 28-Hydroxyolean-12-en-3-yl acetate (CAS 7089-38-5) is a chemical compound with molecular formula C32H52O3 and molecular weight 484.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6aR,6bS,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Also Known As: 3-O-Acetylerythrodiol, 28-Hydroxyolean-12-en-3-yl acetate, (5xi,9xi,18xi)-28-Hydroxyolean-12-en-3beta-yl acetate, [(3S,6aR,6bS,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
| Molecular Formula | C32H52O3 |
|---|---|
| Molecular Weight | 484.39 g/mol |
| LogP | 7.7121 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.39163 |
| Heavy Atoms | 35 |
| Complexity | 915.7691 |
Chemical Identifiers
| CAS Number | 7089-38-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)CO)C)C)C |
Product Overview
28-Hydroxyolean-12-en-3-yl acetate (CAS 7089-38-5), with molecular formula C32H52O3 and molecular weight 484.39 g/mol. IUPAC: [(3S,6aR,6bS,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate.
Chemical Property Profile of 28-Hydroxyolean-12-en-3-yl acetate
Property Insights of 28-Hydroxyolean-12-en-3-yl acetate
The XLogP value of 7.7121 indicates that 28-Hydroxyolean-12-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 28-Hydroxyolean-12-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 28-Hydroxyolean-12-en-3-yl acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 28-Hydroxyolean-12-en-3-yl acetate?
The CAS number of 28-Hydroxyolean-12-en-3-yl acetate is 7089-38-5.
What is the molecular formula of 28-Hydroxyolean-12-en-3-yl acetate?
The molecular formula of 28-Hydroxyolean-12-en-3-yl acetate is C32H52O3.
What is the molecular weight of 28-Hydroxyolean-12-en-3-yl acetate?
The molecular weight of 28-Hydroxyolean-12-en-3-yl acetate is 484.39 g/mol.
Where can I buy 28-Hydroxyolean-12-en-3-yl acetate?
You can request a quote for 28-Hydroxyolean-12-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 28-Hydroxyolean-12-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 28-Hydroxyolean-12-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.