Diacetyl-2,16 cucurbitacine (E)
TL;DR: Diacetyl-2,16 cucurbitacine (E) (CAS 26321-61-9) is a chemical compound with molecular formula C36H48O10 and molecular weight 640.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Diacetyl-2,16 cucurbitacine (E), Diacetyl-2,16 cucurbitacine E, 3-08-00-04378 (Beilstein Handbook Reference), 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16-alpha,20,25-tetrahydroxy-, 2,16-alpha,25-triacetate, (10alpha,23E)-2,16alpha,25-Triacetoxy-20-hydroxy-9beta-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
| Molecular Formula | C36H48O10 |
|---|---|
| Molecular Weight | 640.32 g/mol |
| LogP | 4.7661 |
| Topological Polar Surface Area | 150.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 640.32477 |
| Heavy Atoms | 46 |
| Complexity | 1491.1075 |
Chemical Identifiers
| CAS Number | 26321-61-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C=C(C(=O)C4(C)C)OC(=O)C)C |
Product Overview
Diacetyl-2,16 cucurbitacine (E) (CAS 26321-61-9), with molecular formula C36H48O10 and molecular weight 640.32 g/mol. IUPAC: [(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of Diacetyl-2,16 cucurbitacine (E)
Property Insights of Diacetyl-2,16 cucurbitacine (E)
The XLogP value of 4.7661 indicates that Diacetyl-2,16 cucurbitacine (E) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.34 Ų indicates high polarity, suggesting Diacetyl-2,16 cucurbitacine (E) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diacetyl-2,16 cucurbitacine (E) has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diacetyl-2,16 cucurbitacine (E)?
The CAS number of Diacetyl-2,16 cucurbitacine (E) is 26321-61-9.
What is the molecular formula of Diacetyl-2,16 cucurbitacine (E)?
The molecular formula of Diacetyl-2,16 cucurbitacine (E) is C36H48O10.
What is the molecular weight of Diacetyl-2,16 cucurbitacine (E)?
The molecular weight of Diacetyl-2,16 cucurbitacine (E) is 640.32 g/mol.
Where can I buy Diacetyl-2,16 cucurbitacine (E)?
You can request a quote for Diacetyl-2,16 cucurbitacine (E) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetyl-2,16 cucurbitacine (E)?
Yes, KEHONG BIO provides custom synthesis services for Diacetyl-2,16 cucurbitacine (E) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.