3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
TL;DR: 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid (CAS 168293-14-9) is a chemical compound with molecular formula C32H48O5 and molecular weight 512.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Also Known As: 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid, 3-O-Acetyl-16a-hydroxydehydrotrametenolic acid, 3-O-Acetyl-16 alpha-hydroxydehydrotrametenolic acid, (2R)-2-((3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-enoic acid, 2-((3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-enoic acid
| Molecular Formula | C32H48O5 |
|---|---|
| Molecular Weight | 512.35 g/mol |
| LogP | 6.8614 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.35016 |
| Heavy Atoms | 37 |
| Complexity | 1045.3967 |
Chemical Identifiers
| CAS Number | 168293-14-9 |
|---|---|
| SMILES | CC(=CCCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C |
Product Overview
3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid (CAS 168293-14-9), with molecular formula C32H48O5 and molecular weight 512.35 g/mol. IUPAC: 2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid.
Chemical Property Profile of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
Property Insights of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
The XLogP value of 6.8614 indicates that 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid. Following Lipinski's Rule of Five, 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid?
The CAS number of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid is 168293-14-9.
What is the molecular formula of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid?
The molecular formula of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid is C32H48O5.
What is the molecular weight of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid?
The molecular weight of 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid is 512.35 g/mol.
Where can I buy 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid?
You can request a quote for 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.