19-O-Monoacetylbovosidol A
TL;DR: 19-O-Monoacetylbovosidol A (CAS 100991-79-5) is a chemical compound with molecular formula C33H48O10 and molecular weight 604.32477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,10R,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate
Also Known As: 19-O-Monoacetylbovosidol A, 19-O-Monoacetylbovosidol A [German], 4-18-00-02558 (Beilstein Handbook Reference), Bufa-20,22-dienolide, 19-(acetyloxy)-3-((6-deoxy-3-O-methyl-D-glucopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-, 19-(Acetyloxy)-3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxybufa-20,22-dienolide
Technical Specifications
| Molecular Formula | C33H48O10 |
| Molecular Weight | 604.32477 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.32477 Da |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
| 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=COC(=O)C=C6)O)C)COC(=O)C)O)OC)O |
| InChIKey | VVXLGXLIYXVAFC-XUJHSIKGSA-N |
Chemical Property Profile of 19-O-Monoacetylbovosidol A
Property Insights of 19-O-Monoacetylbovosidol A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-O-Monoacetylbovosidol A. The TPSA of 141.0 Ų indicates high polarity, suggesting 19-O-Monoacetylbovosidol A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 19-O-Monoacetylbovosidol A has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 19-O-Monoacetylbovosidol A?
The CAS number of 19-O-Monoacetylbovosidol A is 100991-79-5.
What is the molecular formula of 19-O-Monoacetylbovosidol A?
The molecular formula of 19-O-Monoacetylbovosidol A is C33H48O10.
What is the molecular weight of 19-O-Monoacetylbovosidol A?
The molecular weight of 19-O-Monoacetylbovosidol A is 604.32477 g/mol.
Where can I buy 19-O-Monoacetylbovosidol A?
You can request a quote for 19-O-Monoacetylbovosidol A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 19-O-Monoacetylbovosidol A?
Yes, CoreyChem provides custom synthesis services for 19-O-Monoacetylbovosidol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.