![16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide structure](/static/products/5373/53735-71-0.webp)
16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
TL;DR: 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide (CAS 53735-71-0) is a chemical compound with molecular formula C31H46O9 and molecular weight 562.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: 16-(acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, [3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
| Molecular Formula | C31H46O9 |
|---|---|
| Molecular Weight | 562.31 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.3142 |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 53735-71-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)O |
| InChIKey | QWTDCDSWAVIWER-UHFFFAOYSA-N |
Product Overview
16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide (CAS 53735-71-0), with molecular formula C31H46O9 and molecular weight 562.31 g/mol. IUPAC: [3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Property Insights of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide?
The CAS number of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide is 53735-71-0.
What is the molecular formula of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide?
The molecular formula of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide is C31H46O9.
What is the molecular weight of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide?
The molecular weight of 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide is 562.31 g/mol.
Where can I buy 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide?
You can request a quote for 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.