20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide
TL;DR: 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide (CAS 122689-50-3) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,8R,10S,13R,14R,17R,18R,19R)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one
Also Known As: Diospyrolide, 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide, 20,29,30-Trinorlupan-28-oic acid, 3,19-dihydroxy-, gamma-lactone, (3beta,19beta)-
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.738 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 788.97766 |
Chemical Identifiers
| CAS Number | 122689-50-3 |
|---|---|
| SMILES | C[C@@]12CCC34CC[C@H]([C@@H]3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC4=O |
Product Overview
20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide (CAS 122689-50-3), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (4R,5R,8R,10S,13R,14R,17R,18R,19R)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one.
Chemical Property Profile of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide
Property Insights of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide
The XLogP value of 5.738 indicates that 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide 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 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide?
The CAS number of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide is 122689-50-3.
What is the molecular formula of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide?
The molecular formula of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide is C27H42O3.
What is the molecular weight of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide?
The molecular weight of 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide is 414.31 g/mol.
Where can I buy 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide?
You can request a quote for 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide?
Yes, KEHONG BIO provides custom synthesis services for 20,29,30-Trinor-3beta-hydroxy-28,19beta-lupanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.