Cucurbitacine X glucoside
TL;DR: Cucurbitacine X glucoside (CAS 74080-86-7) is a chemical compound with molecular formula C36H52O11 and molecular weight 660.35 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)-16-hydroxy-17-[(E,2R)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Cucurbitacine-X-glucoside, Cucurbitacine X glucoside, 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 16-alpha,20-dihydroxy-2-(beta-D-glucopyranosyloxy)-9-methyl-, (8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-17-[(E,2R)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione, (1R,2R,3aS,3bS,9aR,9bR,11aR)-2-hydroxy-1-[(2R)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
| Molecular Formula | C36H52O11 |
|---|---|
| Molecular Weight | 660.35 g/mol |
| LogP | 1.763 |
| Topological Polar Surface Area | 191.05 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 660.35095 |
| Heavy Atoms | 47 |
| Complexity | 1406.8862 |
Chemical Identifiers
| CAS Number | 74080-86-7 |
|---|---|
| SMILES | CC(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O |
Product Overview
Cucurbitacine X glucoside (CAS 74080-86-7), with molecular formula C36H52O11 and molecular weight 660.35 g/mol. IUPAC: (8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-17-[(E,2R)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of Cucurbitacine X glucoside
Property Insights of Cucurbitacine X glucoside
The XLogP value of 1.763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cucurbitacine X glucoside. The TPSA of 191.05 Ų indicates high polarity, suggesting Cucurbitacine X glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucurbitacine X glucoside has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucurbitacine X glucoside?
The CAS number of Cucurbitacine X glucoside is 74080-86-7.
What is the molecular formula of Cucurbitacine X glucoside?
The molecular formula of Cucurbitacine X glucoside is C36H52O11.
What is the molecular weight of Cucurbitacine X glucoside?
The molecular weight of Cucurbitacine X glucoside is 660.35 g/mol.
Where can I buy Cucurbitacine X glucoside?
You can request a quote for Cucurbitacine X glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacine X glucoside?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacine X glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.