常春藤皂苷元
TL;DR: 常春藤皂苷元 (CAS 465-99-6) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
常春藤皂苷元
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Hederagenin, Caulosapogenin, Hederagenol, Astrantiagenin E, Hederagenic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 465-99-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O |
| InChIKey | PGOYMURMZNDHNS-MYPRUECHSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
常春藤皂苷元 (CAS 465-99-6), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 常春藤皂苷元
Property Insights of 常春藤皂苷元
The XLogP value of 6.8 indicates that 常春藤皂苷元 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 常春藤皂苷元. Following Lipinski's Rule of Five, 常春藤皂苷元 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 常春藤皂苷元?
The CAS number of 常春藤皂苷元 is 465-99-6.
What is the molecular formula of 常春藤皂苷元?
The molecular formula of 常春藤皂苷元 is C30H48O4.
What is the molecular weight of 常春藤皂苷元?
The molecular weight of 常春藤皂苷元 is 472.36 g/mol.
Where can I buy 常春藤皂苷元?
You can request a quote for 常春藤皂苷元 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 常春藤皂苷元?
Yes, KEHONG BIO provides custom synthesis services for 常春藤皂苷元 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.