CUCURBITACIN C
TL;DR: CUCURBITACIN C (CAS 5988-76-1) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Also Known As: CUCURBITACIN C, [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] acetate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 5988-76-1 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C=CC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)CO)C)C)O)O |
| InChIKey | DGIGXLXLGBAJJN-WHEMRKSBSA-N |
Product Overview
CUCURBITACIN C (CAS 5988-76-1), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate.
Chemical Property Profile of CUCURBITACIN C
Property Insights of CUCURBITACIN C
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CUCURBITACIN C. The TPSA of 141.0 Ų indicates high polarity, suggesting CUCURBITACIN C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CUCURBITACIN C has 4 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 CUCURBITACIN C?
The CAS number of CUCURBITACIN C is 5988-76-1.
What is the molecular formula of CUCURBITACIN C?
The molecular formula of CUCURBITACIN C is C32H48O8.
What is the molecular weight of CUCURBITACIN C?
The molecular weight of CUCURBITACIN C is 560.33 g/mol.
Where can I buy CUCURBITACIN C?
You can request a quote for CUCURBITACIN C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CUCURBITACIN C?
Yes, KEHONG BIO provides custom synthesis services for CUCURBITACIN C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.