7-Benzoylingol-3,8,12-triacetate
TL;DR: 7-Benzoylingol-3,8,12-triacetate (CAS 135467-87-7) is a chemical compound with molecular formula C33H40O10 and molecular weight 596.26215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,3R,4S,5S,7R,8S,9S,10Z,12R,13R,14R)-4,8,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] benzoate
Also Known As: 7-Boat, 7-Benzoylingol-3,8,12-triacetate, 7-Benzoyl-ingol-3,8,12-acetate, [(1S,3R,4S,5S,7R,8S,9S,10Z,12R,13R,14R)-4,8,13-Triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] benzoate, 4a,7a-Epoxy-5H-cyclopenta(a)cyclopropa(f)cyclodecen-4(1H)-one, 2,7,11-tris(acetyloxy)-10-(benzoyloxy)-1a,2,3,6,7,10,11,11a-octahydro-1,1,3,6,9-pentamethyl-, (1aS-(1aR*,2R*,3S*,4aR*,6S*,7S*,7aS*,8E,10R*,11R*,11aS*))-
Technical Specifications
| Molecular Formula | C33H40O10 |
| Molecular Weight | 596.26215 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.26215 Da |
| Heavy Atoms | 43 |
| Complexity | 1230.0 |
| SMILES | C[C@@H]1C[C@@]23C(=O)[C@@H]([C@H]([C@H]4[C@H](C4(C)C)[C@@H]([C@H](/C(=C\[C@]2([C@@H]1OC(=O)C)O3)/C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)C |
| InChIKey | LPVJWXJBZPCDLM-HUWNQDJBSA-N |
Chemical Property Profile of 7-Benzoylingol-3,8,12-triacetate
Property Insights of 7-Benzoylingol-3,8,12-triacetate
The XLogP value of 3.9 indicates that 7-Benzoylingol-3,8,12-triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzoylingol-3,8,12-triacetate. Following Lipinski's Rule of Five, 7-Benzoylingol-3,8,12-triacetate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-Benzoylingol-3,8,12-triacetate?
The CAS number of 7-Benzoylingol-3,8,12-triacetate is 135467-87-7.
What is the molecular formula of 7-Benzoylingol-3,8,12-triacetate?
The molecular formula of 7-Benzoylingol-3,8,12-triacetate is C33H40O10.
What is the molecular weight of 7-Benzoylingol-3,8,12-triacetate?
The molecular weight of 7-Benzoylingol-3,8,12-triacetate is 596.26215 g/mol.
Where can I buy 7-Benzoylingol-3,8,12-triacetate?
You can request a quote for 7-Benzoylingol-3,8,12-triacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Benzoylingol-3,8,12-triacetate?
Yes, CoreyChem provides custom synthesis services for 7-Benzoylingol-3,8,12-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.