Diacetyl-2,16 cucurbitacine (D)
TL;DR: Diacetyl-2,16 cucurbitacine (D) (CAS 3520-11-4) is a chemical compound with molecular formula C34H48O9 and molecular weight 600.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,8S,9R,10R,13R,14S,16S,17R)-16-acetyloxy-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
Also Known As: Diacetyl-2,16 cucurbitacine (D), 4-08-00-03723 (Beilstein Handbook Reference), 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-, 2-beta,16-alpha-diacetate, 20,25-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-diene-2,16-diyl diacetate, BRN 3190816
| Molecular Formula | C34H48O9 |
|---|---|
| Molecular Weight | 600.33 g/mol |
| LogP | 4.0701 |
| Topological Polar Surface Area | 144.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 600.32983 |
| Heavy Atoms | 43 |
| Complexity | 1313.0878 |
Chemical Identifiers
| CAS Number | 3520-11-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]4([C@]3(C[C@@H]([C@@H]4[C@](C)(C(=O)/C=C/C(C)(C)O)O)OC(=O)C)C)C)C)C(C1=O)(C)C |
Product Overview
Diacetyl-2,16 cucurbitacine (D) (CAS 3520-11-4), with molecular formula C34H48O9 and molecular weight 600.33 g/mol. IUPAC: [(2S,8S,9R,10R,13R,14S,16S,17R)-16-acetyloxy-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate.
Chemical Property Profile of Diacetyl-2,16 cucurbitacine (D)
Property Insights of Diacetyl-2,16 cucurbitacine (D)
The XLogP value of 4.0701 indicates that Diacetyl-2,16 cucurbitacine (D) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.27 Ų indicates high polarity, suggesting Diacetyl-2,16 cucurbitacine (D) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diacetyl-2,16 cucurbitacine (D) has 2 hydrogen bond donor(s) and 9 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 (D)?
The CAS number of Diacetyl-2,16 cucurbitacine (D) is 3520-11-4.
What is the molecular formula of Diacetyl-2,16 cucurbitacine (D)?
The molecular formula of Diacetyl-2,16 cucurbitacine (D) is C34H48O9.
What is the molecular weight of Diacetyl-2,16 cucurbitacine (D)?
The molecular weight of Diacetyl-2,16 cucurbitacine (D) is 600.33 g/mol.
Where can I buy Diacetyl-2,16 cucurbitacine (D)?
You can request a quote for Diacetyl-2,16 cucurbitacine (D) 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 (D)?
Yes, KEHONG BIO provides custom synthesis services for Diacetyl-2,16 cucurbitacine (D) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.