3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione
TL;DR: 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione (CAS 39388-66-4) is a chemical compound with molecular formula C24H32O7 and molecular weight 432.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,6S,8R,9S,10S,11R,13S)-8-acetyloxy-11-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Inflexin, 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione, 11-Hydroxy-6,15-dioxo-1beta,3beta,5beta,8alpha,9beta,10alpha,11alpha,13alpha-kaur-16-ene-1,3-diyl diacetate
| Molecular Formula | C24H32O7 |
|---|---|
| Molecular Weight | 432.21 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.2148 |
| Heavy Atoms | 31 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 39388-66-4 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H](C([C@@H]2[C@@]1([C@@H]3[C@@H](C[C@@H]4C[C@@]3(CC2=O)C(=O)C4=C)O)C)(C)C)OC(=O)C |
| InChIKey | YVMIOJMVICZZJA-UIZRKYKGSA-N |
Product Overview
3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione (CAS 39388-66-4), with molecular formula C24H32O7 and molecular weight 432.21 g/mol. IUPAC: [(1S,4R,6S,8R,9S,10S,11R,13S)-8-acetyloxy-11-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Chemical Property Profile of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione
Property Insights of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione. Following Lipinski's Rule of Five, 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione?
The CAS number of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione is 39388-66-4.
What is the molecular formula of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione?
The molecular formula of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione is C24H32O7.
What is the molecular weight of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione?
The molecular weight of 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione is 432.21 g/mol.
Where can I buy 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione?
You can request a quote for 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione?
Yes, KEHONG BIO provides custom synthesis services for 3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.