束状酸C
TL;DR: 束状酸C (CAS 126882-56-2) is a chemical compound with molecular formula C38H63NO11 and molecular weight 709.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
束状酸C
2-[[5-[[(2R,3R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid
Also Known As: Fasciculic acid C, 3-O-(N-Glycyl-3-hydroxy-3-methylglutaryl)fasciculol C, 2-[[5-[[(2R,3R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid, Lanost-8-ene-2,3,12,21,24,25-hexol, 3-(5-((carboxymethyl)amino)-3-hydroxy-3-methyl-5-oxopentanoate), (2alpha,3beta,12alpha,24R)-, N-(1,3-Dihydroxy-3-methyl-5-oxo-5-{[(5xi,24R)-2alpha,12alpha,21,24,25-pentahydroxylanost-8-en-3beta-yl]oxy}pentylidene)glycine
| Molecular Formula | C38H63NO11 |
|---|---|
| Molecular Weight | 709.44 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 709.4401 |
| Heavy Atoms | 50 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 126882-56-2 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)O)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO |
| InChIKey | IOMBMOCSWVAYQU-ZZNWQZPFSA-N |
Product Overview
束状酸C (CAS 126882-56-2), with molecular formula C38H63NO11 and molecular weight 709.44 g/mol. IUPAC: 2-[[5-[[(2R,3R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid.
Chemical Property Profile of 束状酸C
Property Insights of 束状酸C
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 束状酸C. The TPSA of 214.0 Ų indicates high polarity, suggesting 束状酸C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 束状酸C has 8 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 束状酸C?
The CAS number of 束状酸C is 126882-56-2.
What is the molecular formula of 束状酸C?
The molecular formula of 束状酸C is C38H63NO11.
What is the molecular weight of 束状酸C?
The molecular weight of 束状酸C is 709.44 g/mol.
Where can I buy 束状酸C?
You can request a quote for 束状酸C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 束状酸C?
Yes, KEHONG BIO provides custom synthesis services for 束状酸C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.