![(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate structure](/static/products/6941/6941-13-5.webp)
(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate
TL;DR: (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate (CAS 6941-13-5) is a chemical compound with molecular formula C26H34O4 and molecular weight 410.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate
Also Known As: (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate, [(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate, 16,24-Cyclo-21-norchola-16,20(22),23-trien-12-one, 3-(acetyloxy)-20-hydroxy-23-methyl-, (3I(2),5I+/-)-
| Molecular Formula | C26H34O4 |
|---|---|
| Molecular Weight | 410.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.2457 |
| Heavy Atoms | 30 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 6941-13-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=O)C)OC(=O)C)C |
| InChIKey | WMRIDQKUHHKMSD-QWAJFYDZSA-N |
Product Overview
(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate (CAS 6941-13-5), with molecular formula C26H34O4 and molecular weight 410.25 g/mol. IUPAC: [(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate.
Chemical Property Profile of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate
Property Insights of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate
The XLogP value of 5.1 indicates that (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate. Following Lipinski's Rule of Five, (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate has 1 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 (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate?
The CAS number of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate is 6941-13-5.
What is the molecular formula of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate?
The molecular formula of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate is C26H34O4.
What is the molecular weight of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate?
The molecular weight of (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate is 410.25 g/mol.
Where can I buy (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate?
You can request a quote for (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.