![Soyasapogenol B [M+H]+ structure](/static/products/5951/59515-34-3.webp)
Soyasapogenol B [M+H]+
TL;DR: Soyasapogenol B [M+H]+ (CAS 59515-34-3) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Also Known As: Soyasapogenol B, Soyasapogenol B [M+H]+, Methyl 3-nitro-4-sulfanylbenzoate, (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol, 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 59515-34-3 |
|---|---|
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C |
| InChIKey | YOQAQNKGFOLRGT-UHFFFAOYSA-N |
Product Overview
Soyasapogenol B [M+H]+ (CAS 59515-34-3), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol.
Chemical Property Profile of Soyasapogenol B [M+H]+
Property Insights of Soyasapogenol B [M+H]+
The XLogP value of 7.0 indicates that Soyasapogenol B [M+H]+ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Soyasapogenol B [M+H]+. Following Lipinski's Rule of Five, Soyasapogenol B [M+H]+ has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soyasapogenol B [M+H]+?
The CAS number of Soyasapogenol B [M+H]+ is 59515-34-3.
What is the molecular formula of Soyasapogenol B [M+H]+?
The molecular formula of Soyasapogenol B [M+H]+ is C30H50O3.
What is the molecular weight of Soyasapogenol B [M+H]+?
The molecular weight of Soyasapogenol B [M+H]+ is 458.38 g/mol.
Where can I buy Soyasapogenol B [M+H]+?
You can request a quote for Soyasapogenol B [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasapogenol B [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Soyasapogenol B [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.