(3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol
TL;DR: (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol (CAS 6466-94-0) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
Also Known As: Bauerenol, Baurenol, Ilexol, (-)-bauerenol, Baurenol (Ilexol)
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 6466-94-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)O)C)C)C |
| InChIKey | TZVDWGXUGGUMCE-JVHXOXOBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol (CAS 6466-94-0), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol.
Chemical Property Profile of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol
Property Insights of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol
The XLogP value of 9.0 indicates that (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol?
The CAS number of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol is 6466-94-0.
What is the molecular formula of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol?
The molecular formula of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol is C30H50O.
What is the molecular weight of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol?
The molecular weight of (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol is 426.39 g/mol.
Where can I buy (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol?
You can request a quote for (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.