Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate
TL;DR: Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate (CAS 51984-75-9) is a chemical compound with molecular formula C37H52O4 and molecular weight 560.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Also Known As: Benzyl 3-hydroxy-11-oxoolean-12-en-29-oate, benzyl(3, A)-3-hydroxy-11-oxoolean-12-en-30-oate, Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate, Benzyl 3beta-hydroxy-11-oxoolean-12-en-30-oate
| Molecular Formula | C37H52O4 |
|---|---|
| Molecular Weight | 560.39 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.38654 |
| Heavy Atoms | 41 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 51984-75-9 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OCC6=CC=CC=C6 |
| InChIKey | UNRVOFRDIGTQBY-CJBAOGIUSA-N |
Product Overview
Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate (CAS 51984-75-9), with molecular formula C37H52O4 and molecular weight 560.39 g/mol. IUPAC: benzyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate.
Chemical Property Profile of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate
Property Insights of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate
The XLogP value of 8.2 indicates that Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate. Following Lipinski's Rule of Five, Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate?
The CAS number of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate is 51984-75-9.
What is the molecular formula of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate?
The molecular formula of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate is C37H52O4.
What is the molecular weight of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate?
The molecular weight of Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate is 560.39 g/mol.
Where can I buy Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate?
You can request a quote for Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.