去乙酰基海杧果素
TL;DR: 去乙酰基海杧果素 (CAS 4589-95-1) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去乙酰基海杧果素
3-[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Desacetyl-tanghinin, Tanghinin, deacetyl-, 3beta-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-7beta,8-epoxy-14-hydroxy-5beta-card-20(22)-enolide
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.30 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 4589-95-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)O)OC)O |
| InChIKey | LVGNJQMAMYJAIL-UHFFFAOYSA-N |
Product Overview
去乙酰基海杧果素 (CAS 4589-95-1), with molecular formula C30H44O9 and molecular weight 548.30 g/mol. IUPAC: 3-[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one.
Chemical Property Profile of 去乙酰基海杧果素
Property Insights of 去乙酰基海杧果素
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去乙酰基海杧果素. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 去乙酰基海杧果素. Following Lipinski's Rule of Five, 去乙酰基海杧果素 has 3 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 去乙酰基海杧果素?
The CAS number of 去乙酰基海杧果素 is 4589-95-1.
What is the molecular formula of 去乙酰基海杧果素?
The molecular formula of 去乙酰基海杧果素 is C30H44O9.
What is the molecular weight of 去乙酰基海杧果素?
The molecular weight of 去乙酰基海杧果素 is 548.30 g/mol.
Where can I buy 去乙酰基海杧果素?
You can request a quote for 去乙酰基海杧果素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去乙酰基海杧果素?
Yes, KEHONG BIO provides custom synthesis services for 去乙酰基海杧果素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.