Mono-O-acetylacoschimperoside P
TL;DR: Mono-O-acetylacoschimperoside P (CAS 4420-66-0) is a chemical compound with molecular formula C34H50O11 and molecular weight 634.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-acetyloxy-5-hydroxy-4-methoxy-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: Mono-O-acetylacoschimperoside P, Acoschimperoside P, mono-O-acetyl-, 3-[(2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-16-(acetyloxy)-14-hydroxycard-20(22)-enolide, [3-(3-acetyloxy-5-hydroxy-4-methoxy-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 | C34H50O11 |
|---|---|
| Molecular Weight | 634.34 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 634.3353 |
| Heavy Atoms | 45 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 4420-66-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC)O |
| InChIKey | QORPSFATKFHVRW-UHFFFAOYSA-N |
Product Overview
Mono-O-acetylacoschimperoside P (CAS 4420-66-0), with molecular formula C34H50O11 and molecular weight 634.34 g/mol. IUPAC: [3-(3-acetyloxy-5-hydroxy-4-methoxy-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 Mono-O-acetylacoschimperoside P
Property Insights of Mono-O-acetylacoschimperoside P
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono-O-acetylacoschimperoside P. The TPSA of 147.0 Ų indicates high polarity, suggesting Mono-O-acetylacoschimperoside P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mono-O-acetylacoschimperoside P has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mono-O-acetylacoschimperoside P?
The CAS number of Mono-O-acetylacoschimperoside P is 4420-66-0.
What is the molecular formula of Mono-O-acetylacoschimperoside P?
The molecular formula of Mono-O-acetylacoschimperoside P is C34H50O11.
What is the molecular weight of Mono-O-acetylacoschimperoside P?
The molecular weight of Mono-O-acetylacoschimperoside P is 634.34 g/mol.
Where can I buy Mono-O-acetylacoschimperoside P?
You can request a quote for Mono-O-acetylacoschimperoside P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-O-acetylacoschimperoside P?
Yes, KEHONG BIO provides custom synthesis services for Mono-O-acetylacoschimperoside P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.