3,6,9-Trihydroxyergostan-25-yl acetate
TL;DR: 3,6,9-Trihydroxyergostan-25-yl acetate (CAS 110508-97-9) is a chemical compound with molecular formula C30H52O5 and molecular weight 492.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-dimethyl-6-(3,6,9-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)heptan-2-yl] acetate
Also Known As: Sartortuosterol A, (+)-Sartortuosterol A, 24-MCTA, 3,6,9-Trihydroxyergostan-25-yl acetate, 24-Methylcholestane-3,6,9,25-tetrol-25-acetate
| Molecular Formula | C30H52O5 |
|---|---|
| Molecular Weight | 492.38 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.38147 |
| Heavy Atoms | 35 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 110508-97-9 |
|---|---|
| SMILES | CC(CCC(C)C(C)(C)OC(=O)C)C1CCC2C1(CCC3(C2CC(C4C3(CCC(C4)O)C)O)O)C |
| InChIKey | DHQPGHFKCMJXKL-UHFFFAOYSA-N |
Product Overview
3,6,9-Trihydroxyergostan-25-yl acetate (CAS 110508-97-9), with molecular formula C30H52O5 and molecular weight 492.38 g/mol. IUPAC: [2,3-dimethyl-6-(3,6,9-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)heptan-2-yl] acetate.
Chemical Property Profile of 3,6,9-Trihydroxyergostan-25-yl acetate
Property Insights of 3,6,9-Trihydroxyergostan-25-yl acetate
The XLogP value of 5.8 indicates that 3,6,9-Trihydroxyergostan-25-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,9-Trihydroxyergostan-25-yl acetate. Following Lipinski's Rule of Five, 3,6,9-Trihydroxyergostan-25-yl acetate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6,9-Trihydroxyergostan-25-yl acetate?
The CAS number of 3,6,9-Trihydroxyergostan-25-yl acetate is 110508-97-9.
What is the molecular formula of 3,6,9-Trihydroxyergostan-25-yl acetate?
The molecular formula of 3,6,9-Trihydroxyergostan-25-yl acetate is C30H52O5.
What is the molecular weight of 3,6,9-Trihydroxyergostan-25-yl acetate?
The molecular weight of 3,6,9-Trihydroxyergostan-25-yl acetate is 492.38 g/mol.
Where can I buy 3,6,9-Trihydroxyergostan-25-yl acetate?
You can request a quote for 3,6,9-Trihydroxyergostan-25-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,9-Trihydroxyergostan-25-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9-Trihydroxyergostan-25-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.