5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane
TL;DR: 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane (CAS 210108-91-1) is a chemical compound with molecular formula C37H48O13 and molecular weight 700.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl) benzoate
Also Known As: 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane, (4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl) benzoate
| Molecular Formula | C37H48O13 |
|---|---|
| Molecular Weight | 700.31 g/mol |
| LogP | 3.8578 |
| Topological Polar Surface Area | 178.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 700.3095 |
| Heavy Atoms | 50 |
| Complexity | 1575.6243 |
Chemical Identifiers
| CAS Number | 210108-91-1 |
|---|---|
| SMILES | CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(CC5OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
Product Overview
5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane (CAS 210108-91-1), with molecular formula C37H48O13 and molecular weight 700.31 g/mol. IUPAC: (4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl) benzoate.
Chemical Property Profile of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane
Property Insights of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane
The XLogP value of 3.8578 indicates that 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.03 Ų indicates high polarity, suggesting 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane?
The CAS number of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane is 210108-91-1.
What is the molecular formula of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane?
The molecular formula of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane is C37H48O13.
What is the molecular weight of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane?
The molecular weight of 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane is 700.31 g/mol.
Where can I buy 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane?
You can request a quote for 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane?
Yes, KEHONG BIO provides custom synthesis services for 5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.