Petuniasterone O
TL;DR: Petuniasterone O (CAS 126589-94-4) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5R,8S,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-9-oxo-15-[(1S)-1-[(1R,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-8-yl] acetate
Also Known As: Petuniasterone O, 5-Hydroxy-1-oxo-17-{(1S)-1-[(1R,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl}-5alpha,6alpha,7alpha-6,7-epoxyandrostan-2alpha-yl acetate, 5-Hydroxy-1-oxo-20-(1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl)-6,7-epoxypregnan-2-yl acetate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 126589-94-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)[C@@]5([C@@]3(C(=O)[C@H](CC5)OC(=O)C)C)O)C)[C@H]6C[C@]7(C(O[C@@](O6)(O7)C)(C)C)C |
| InChIKey | PEBOOKBVQLZFRK-NQGUFKLPSA-N |
Product Overview
Petuniasterone O (CAS 126589-94-4), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(1S,2S,4S,5R,8S,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-9-oxo-15-[(1S)-1-[(1R,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-8-yl] acetate.
Chemical Property Profile of Petuniasterone O
Property Insights of Petuniasterone O
The XLogP value of 4.6 indicates that Petuniasterone O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Petuniasterone O. Following Lipinski's Rule of Five, Petuniasterone O has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Petuniasterone O?
The CAS number of Petuniasterone O is 126589-94-4.
What is the molecular formula of Petuniasterone O?
The molecular formula of Petuniasterone O is C32H48O8.
What is the molecular weight of Petuniasterone O?
The molecular weight of Petuniasterone O is 560.33 g/mol.
Where can I buy Petuniasterone O?
You can request a quote for Petuniasterone O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petuniasterone O?
Yes, KEHONG BIO provides custom synthesis services for Petuniasterone O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.