![(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate structure](/static/products/131/13116-52-4.png)
(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
TL;DR: (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (CAS 13116-52-4) is a chemical compound with molecular formula C25H38O3 and molecular weight 386.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, [(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C25H38O3 |
|---|---|
| Molecular Weight | 386.28 g/mol |
| LogP | 5.7222 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.2821 |
| Heavy Atoms | 28 |
| Complexity | 723.3046 |
Chemical Identifiers
| CAS Number | 13116-52-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C)OC(=O)C |
Product Overview
(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (CAS 13116-52-4), with molecular formula C25H38O3 and molecular weight 386.28 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Property Insights of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
The XLogP value of 5.7222 indicates that (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate?
The CAS number of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate is 13116-52-4.
What is the molecular formula of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate?
The molecular formula of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate is C25H38O3.
What is the molecular weight of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate?
The molecular weight of (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate is 386.28 g/mol.
Where can I buy (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate?
You can request a quote for (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.