葫芦素E
TL;DR: 葫芦素E (CAS 18444-66-1) is a chemical compound with molecular formula C32H44O8 and molecular weight 556.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葫芦素E
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Also Known As: Cucurbitacin E, [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate, [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
| Molecular Formula | C32H44O8 |
|---|---|
| Molecular Weight | 556.30 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.3036 |
| Heavy Atoms | 40 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 18444-66-1 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O |
| InChIKey | NDYMQXYDSVBNLL-UHFFFAOYSA-N |
Product Overview
葫芦素E (CAS 18444-66-1), with molecular formula C32H44O8 and molecular weight 556.30 g/mol. IUPAC: [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate.
Chemical Property Profile of 葫芦素E
Property Insights of 葫芦素E
The XLogP value of 3.2 indicates that 葫芦素E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 葫芦素E. Following Lipinski's Rule of Five, 葫芦素E has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 葫芦素E?
The CAS number of 葫芦素E is 18444-66-1.
What is the molecular formula of 葫芦素E?
The molecular formula of 葫芦素E is C32H44O8.
What is the molecular weight of 葫芦素E?
The molecular weight of 葫芦素E is 556.30 g/mol.
Where can I buy 葫芦素E?
You can request a quote for 葫芦素E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葫芦素E?
Yes, KEHONG BIO provides custom synthesis services for 葫芦素E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.