Andrastin C
TL;DR: Andrastin C (CAS 174232-44-1) is a chemical compound with molecular formula C28H40O6 and molecular weight 472.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S,5S,8S,9S,10R,13R,14R)-3-acetyloxy-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
Also Known As: Andrastin C, (9beta,10alpha,13alpha)-3beta-Acetoxy-4,4,8alpha,12,16-pentamethyl-15-hydroxy-17-oxo-5beta-androsta-11,15-diene-14-carboxylic acid methyl ester, methyl (3aR,3bS,5aS,7S,9aR,9bS,11aR)-7-(acetyloxy)-3-hydroxy-2,3b,6,6,9a,11,11a-heptamethyl-1-oxo-1H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthrene-3a-carboxylate, methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-15-hydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate, methyl (3S,5S,8S,9S,10R,13R,14R)-3-acetyloxy-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthrene-14-carboxylate
| Molecular Formula | C28H40O6 |
|---|---|
| Molecular Weight | 472.28 g/mol |
| LogP | 5.3172 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.2825 |
| Heavy Atoms | 34 |
| Complexity | 1035.4966 |
Chemical Identifiers
| CAS Number | 174232-44-1 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@]3(CC[C@@H](C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C)(C)C)OC(=O)C)C |
Product Overview
Andrastin C (CAS 174232-44-1), with molecular formula C28H40O6 and molecular weight 472.28 g/mol. IUPAC: methyl (3S,5S,8S,9S,10R,13R,14R)-3-acetyloxy-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate.
Chemical Property Profile of Andrastin C
Property Insights of Andrastin C
The XLogP value of 5.3172 indicates that Andrastin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Andrastin C. Following Lipinski's Rule of Five, Andrastin C has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Andrastin C?
The CAS number of Andrastin C is 174232-44-1.
What is the molecular formula of Andrastin C?
The molecular formula of Andrastin C is C28H40O6.
What is the molecular weight of Andrastin C?
The molecular weight of Andrastin C is 472.28 g/mol.
Where can I buy Andrastin C?
You can request a quote for Andrastin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrastin C?
Yes, KEHONG BIO provides custom synthesis services for Andrastin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.