Austalide A
TL;DR: Austalide A (CAS 81543-01-3) is a chemical compound with molecular formula C28H36O9 and molecular weight 516.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl] acetate
Also Known As: Austalide A, (3S,5aR,6R,7aS,14aR,14bR)-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-12-oxo-1,2,3,7,7a,10,12,14,14a,14b-decahydro-5H,6H-3,5a-epoxyfuro[3,4-i]oxepino[4,3-a]xanthen-6-yl acetate, 12H-3,5a-Epoxy-5H-furo(3,4-i)oxepino(4,3-a)xanthen-12-one,6-(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-, (3S,5aR,6R,7aS,14aR,14bR)-, ((1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo(18.2.1.01,17.04,16.06,14.08,12)tricosa-6(14),7,12-trien-2-yl) acetate, (1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl acetate
| Molecular Formula | C28H36O9 |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.23596 |
| Heavy Atoms | 37 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 81543-01-3 |
|---|---|
| SMILES | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(C[C@H]([C@@]56[C@@]([C@H]4C3)(CC[C@@](O5)(OC6(C)C)OC)C)OC(=O)C)C)OC |
| InChIKey | JVCNHGXAVMINTN-QBNAFFQBSA-N |
Product Overview
Austalide A (CAS 81543-01-3), with molecular formula C28H36O9 and molecular weight 516.24 g/mol. IUPAC: [(1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl] acetate.
Chemical Property Profile of Austalide A
Property Insights of Austalide A
The XLogP value of 3.3 indicates that Austalide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Austalide A. Following Lipinski's Rule of Five, Austalide A has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Austalide A?
The CAS number of Austalide A is 81543-01-3.
What is the molecular formula of Austalide A?
The molecular formula of Austalide A is C28H36O9.
What is the molecular weight of Austalide A?
The molecular weight of Austalide A is 516.24 g/mol.
Where can I buy Austalide A?
You can request a quote for Austalide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austalide A?
Yes, KEHONG BIO provides custom synthesis services for Austalide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.