灵芝酸B
TL;DR: 灵芝酸B (CAS 104759-64-0) is a chemical compound with molecular formula C30H44O7 and molecular weight 516.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
灵芝酸B
(2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Also Known As: Ganoderic acid B, Ganoderic acid B (Standard), GANODERIC ACID B [MI], HY-N2006R, HY-N2006
| Molecular Formula | C30H44O7 |
|---|---|
| Molecular Weight | 516.31 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.3087 |
| Heavy Atoms | 37 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 104759-64-0 |
|---|---|
| SMILES | C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C |
| InChIKey | LWPLEHFGBRFRKI-NBCWKOIPSA-N |
Product Overview
灵芝酸B (CAS 104759-64-0), with molecular formula C30H44O7 and molecular weight 516.31 g/mol. IUPAC: (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid.
Chemical Property Profile of 灵芝酸B
Property Insights of 灵芝酸B
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 灵芝酸B. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 灵芝酸B. Following Lipinski's Rule of Five, 灵芝酸B has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 灵芝酸B?
The CAS number of 灵芝酸B is 104759-64-0.
What is the molecular formula of 灵芝酸B?
The molecular formula of 灵芝酸B is C30H44O7.
What is the molecular weight of 灵芝酸B?
The molecular weight of 灵芝酸B is 516.31 g/mol.
Where can I buy 灵芝酸B?
You can request a quote for 灵芝酸B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灵芝酸B?
Yes, KEHONG BIO provides custom synthesis services for 灵芝酸B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.