Ningpeisinoside
TL;DR: Ningpeisinoside (CAS 139742-29-3) is a chemical compound with molecular formula C34H57NO7 and molecular weight 591.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one
Also Known As: Ningpeisinoside, (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one, 28-Methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl hexopyranoside, Veratraman-6(5H)-one, 3-(beta-D-glucopyranosyloxy)-12,13-dihydro-28-methyl-, (3beta,5alpha,12alpha,13beta)-, (20xi)-28-Methyl-6-oxo-5alpha,12alpha,13beta-5,6,12,13-tetrahydroveratraman-3beta-yl alpha-D-glucopyranoside
| Molecular Formula | C34H57NO7 |
|---|---|
| Molecular Weight | 591.41 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 591.4135 |
| Heavy Atoms | 42 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 139742-29-3 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](N(C1)C)C(C)[C@@H]2CC[C@@H]3[C@H]([C@H]2C)C[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C |
| InChIKey | OAWUSFAEJKJJFY-DYIYZHNTSA-N |
Product Overview
Ningpeisinoside (CAS 139742-29-3), with molecular formula C34H57NO7 and molecular weight 591.41 g/mol. IUPAC: (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one.
Chemical Property Profile of Ningpeisinoside
Property Insights of Ningpeisinoside
The XLogP value of 4.4 indicates that Ningpeisinoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ningpeisinoside. Following Lipinski's Rule of Five, Ningpeisinoside has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ningpeisinoside?
The CAS number of Ningpeisinoside is 139742-29-3.
What is the molecular formula of Ningpeisinoside?
The molecular formula of Ningpeisinoside is C34H57NO7.
What is the molecular weight of Ningpeisinoside?
The molecular weight of Ningpeisinoside is 591.41 g/mol.
Where can I buy Ningpeisinoside?
You can request a quote for Ningpeisinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ningpeisinoside?
Yes, KEHONG BIO provides custom synthesis services for Ningpeisinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.