![(2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid structure](/static/products/217/217476-76-1.png)
(2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
TL;DR: (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid (CAS 217476-76-1) is a chemical compound with molecular formula C30H44O5 and molecular weight 484.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Also Known As: (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
| Molecular Formula | C30H44O5 |
|---|---|
| Molecular Weight | 484.32 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.31888 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 217476-76-1 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | WEGTWOZKKINDRO-HMJGCMDGSA-N |
Product Overview
(2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid (CAS 217476-76-1), with molecular formula C30H44O5 and molecular weight 484.32 g/mol. IUPAC: (6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid.
Chemical Property Profile of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
Property Insights of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
The XLogP value of 5.0 indicates that (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid. Following Lipinski's Rule of Five, (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid?
The CAS number of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid is 217476-76-1.
What is the molecular formula of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid?
The molecular formula of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid is C30H44O5.
What is the molecular weight of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid?
The molecular weight of (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid is 484.32 g/mol.
Where can I buy (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid?
You can request a quote for (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.