商陆皂苷酸
TL;DR: 商陆皂苷酸 (CAS 54928-05-1) is a chemical compound with molecular formula C31H48O6 and molecular weight 516.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
商陆皂苷酸
(2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Phytolaccagenic acid, Phytolaccinic acid, Phytolaccagenic?Acid, ene-4a(2H)-carboxylic acid, Olean-12-ene-28,29-dioicacid, 3,23-dihydroxy-, 29-methyl ester, (3b,4a,20b)-
| Molecular Formula | C31H48O6 |
|---|---|
| Molecular Weight | 516.35 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.3451 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 54928-05-1 |
|---|---|
| SMILES | C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC |
| InChIKey | YAGYBNOEVSEGSL-AVMVPFGMSA-N |
Product Overview
商陆皂苷酸 (CAS 54928-05-1), with molecular formula C31H48O6 and molecular weight 516.35 g/mol. IUPAC: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 商陆皂苷酸
Property Insights of 商陆皂苷酸
The XLogP value of 5.5 indicates that 商陆皂苷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 商陆皂苷酸. Following Lipinski's Rule of Five, 商陆皂苷酸 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 商陆皂苷酸?
The CAS number of 商陆皂苷酸 is 54928-05-1.
What is the molecular formula of 商陆皂苷酸?
The molecular formula of 商陆皂苷酸 is C31H48O6.
What is the molecular weight of 商陆皂苷酸?
The molecular weight of 商陆皂苷酸 is 516.35 g/mol.
Where can I buy 商陆皂苷酸?
You can request a quote for 商陆皂苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 商陆皂苷酸?
Yes, KEHONG BIO provides custom synthesis services for 商陆皂苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.