Beaumontoside
TL;DR: Beaumontoside (CAS 31087-87-3) 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-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-3-[(2S,5R)-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: Beaumontoside, Odoroside A, 3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-3-[(2S,5R)-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, Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-, Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-.alpha.-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
| 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 | 31087-87-3 |
|---|---|
| SMILES | CC1[C@H](C(C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC)O |
| InChIKey | YBZZSZQZDODUAA-USKAWHENSA-N |
Product Overview
Beaumontoside (CAS 31087-87-3), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-3-[(2S,5R)-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 Beaumontoside
Property Insights of Beaumontoside
The XLogP value of 3.0 indicates that Beaumontoside 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 Beaumontoside. Following Lipinski's Rule of Five, Beaumontoside 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 Beaumontoside?
The CAS number of Beaumontoside is 31087-87-3.
What is the molecular formula of Beaumontoside?
The molecular formula of Beaumontoside is C30H46O7.
What is the molecular weight of Beaumontoside?
The molecular weight of Beaumontoside is 518.32 g/mol.
Where can I buy Beaumontoside?
You can request a quote for Beaumontoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beaumontoside?
Yes, KEHONG BIO provides custom synthesis services for Beaumontoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.