3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 12708-27-9) is a chemical compound with molecular formula C30H46O7 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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: Odoroside A, Somalin, Beaumontoside, Wallichoside, Hongheloside G
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 12708-27-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O |
| InChIKey | YBZZSZQZDODUAA-UHFFFAOYSA-N |
Product Overview
3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 12708-27-9), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: 3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 3.0 indicates that 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide has 2 hydrogen bond donor(s) and 7 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-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is 12708-27-9.
What is the molecular formula of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is C30H46O7.
What is the molecular weight of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide is 518.32 g/mol.
Where can I buy 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)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 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.