Dihydrobetulonic acid
TL;DR: Dihydrobetulonic acid (CAS 25576-27-6) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Also Known As: Triterpenoid, dihydrobetulonic acid, Dihydrobetulinic acid, Dihydrobetulonicacid, 3-Oxolupan-28-oic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 25576-27-6 |
|---|---|
| SMILES | CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O |
| InChIKey | OUAPNSVTUJNUMW-SVAFSPIFSA-N |
Product Overview
Dihydrobetulonic acid (CAS 25576-27-6), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid.
Chemical Property Profile of Dihydrobetulonic acid
Property Insights of Dihydrobetulonic acid
The XLogP value of 8.0 indicates that Dihydrobetulonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Dihydrobetulonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrobetulonic acid has 1 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 Dihydrobetulonic acid?
The CAS number of Dihydrobetulonic acid is 25576-27-6.
What is the molecular formula of Dihydrobetulonic acid?
The molecular formula of Dihydrobetulonic acid is C30H48O3.
What is the molecular weight of Dihydrobetulonic acid?
The molecular weight of Dihydrobetulonic acid is 456.36 g/mol.
Where can I buy Dihydrobetulonic acid?
You can request a quote for Dihydrobetulonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrobetulonic acid?
Yes, KEHONG BIO provides custom synthesis services for Dihydrobetulonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.