Raddeanin A
TL;DR: Raddeanin A (CAS 89412-79-3) is a chemical compound with molecular formula C47H76O16 and molecular weight 896.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Raddeanin A, Anemodeanin A, RaddeaninA, Raddeanin-A, RADDEANIN(ANEMODEANIN) A
| Molecular Formula | C47H76O16 |
|---|---|
| Molecular Weight | 896.51 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 896.51337 |
| Heavy Atoms | 63 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 89412-79-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)C)C)C)O)O)CO)O)O)O)O)O |
| InChIKey | VQQGPFFHGWNIGX-PPCHTBMASA-N |
Product Overview
Raddeanin A (CAS 89412-79-3), with molecular formula C47H76O16 and molecular weight 896.51 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Raddeanin A
Property Insights of Raddeanin A
The XLogP value of 3.3 indicates that Raddeanin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting Raddeanin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raddeanin A has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raddeanin A?
The CAS number of Raddeanin A is 89412-79-3.
What is the molecular formula of Raddeanin A?
The molecular formula of Raddeanin A is C47H76O16.
What is the molecular weight of Raddeanin A?
The molecular weight of Raddeanin A is 896.51 g/mol.
Where can I buy Raddeanin A?
You can request a quote for Raddeanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raddeanin A?
Yes, KEHONG BIO provides custom synthesis services for Raddeanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.