2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside
TL;DR: 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside (CAS 23134-34-1) is a chemical compound with molecular formula C33H54O11 and molecular weight 626.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Ponasteroside A, 1-Methylcyclobutanol, KST-1A2924, 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside, (2
| Molecular Formula | C33H54O11 |
|---|---|
| Molecular Weight | 626.37 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 626.36664 |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 23134-34-1 |
|---|---|
| SMILES | CC(C)CC[C@H]([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)O)O)O |
| InChIKey | CNAKQRUFJWYXIC-LGMFDOEDSA-N |
Product Overview
2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside (CAS 23134-34-1), with molecular formula C33H54O11 and molecular weight 626.37 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside
Property Insights of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside. The TPSA of 197.0 Ų indicates high polarity, suggesting 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside?
The CAS number of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside is 23134-34-1.
What is the molecular formula of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside?
The molecular formula of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside is C33H54O11.
What is the molecular weight of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside?
The molecular weight of 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside is 626.37 g/mol.
Where can I buy 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside?
You can request a quote for 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl hexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.