![3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide structure](/static/products/2265/22654-47-3.webp)
3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
TL;DR: 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide (CAS 22654-47-3) is a chemical compound with molecular formula C29H44O8 and molecular weight 520.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Gitoxigenin monodigitoxose, 3-[(2,6-dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide, 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C29H44O8 |
|---|---|
| Molecular Weight | 520.30 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.3036 |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 22654-47-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)O |
| InChIKey | IQOYEMCASBGLJD-UHFFFAOYSA-N |
Product Overview
3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide (CAS 22654-47-3), with molecular formula C29H44O8 and molecular weight 520.30 g/mol. IUPAC: 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
Property Insights of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide has 4 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 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide?
The CAS number of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide is 22654-47-3.
What is the molecular formula of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide?
The molecular formula of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide is C29H44O8.
What is the molecular weight of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide?
The molecular weight of 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide is 520.30 g/mol.
Where can I buy 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide?
You can request a quote for 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-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 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.