Astrasieversianin XI
TL;DR: Astrasieversianin XI (CAS 101843-86-1) is a chemical compound with molecular formula C48H78O18 and molecular weight 942.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6S)-4-hydroxy-6-[[(3R,9R,12S,14R,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate
Also Known As: Astrasieversianin XI, Asn-XI, Astrasieversianin, Dodecanoic acid,sulfophenyl ester, [(3R,4S,5R,6S)-4-hydroxy-6-[[(3R,9R,12S,14R,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate
| Molecular Formula | C48H78O18 |
|---|---|
| Molecular Weight | 942.52 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 942.5188 |
| Heavy Atoms | 66 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 101843-86-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3CC[C@]45CC46CC[C@@]7([C@H]([C@@H](C[C@]7(C6C[C@H](C5C3(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O)[C@]9(CC[C@H](O9)C(C)(C)O)C)C)OC(=O)C)O)O)O)O |
| InChIKey | ANUFIKIFSCIVQK-YUGLHUJHSA-N |
Product Overview
Astrasieversianin XI (CAS 101843-86-1), with molecular formula C48H78O18 and molecular weight 942.52 g/mol. IUPAC: [(3R,4S,5R,6S)-4-hydroxy-6-[[(3R,9R,12S,14R,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate.
Chemical Property Profile of Astrasieversianin XI
Property Insights of Astrasieversianin XI
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Astrasieversianin XI. The TPSA of 273.0 Ų indicates high polarity, suggesting Astrasieversianin XI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astrasieversianin XI has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Astrasieversianin XI?
The CAS number of Astrasieversianin XI is 101843-86-1.
What is the molecular formula of Astrasieversianin XI?
The molecular formula of Astrasieversianin XI is C48H78O18.
What is the molecular weight of Astrasieversianin XI?
The molecular weight of Astrasieversianin XI is 942.52 g/mol.
Where can I buy Astrasieversianin XI?
You can request a quote for Astrasieversianin XI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astrasieversianin XI?
Yes, KEHONG BIO provides custom synthesis services for Astrasieversianin XI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.