16-Hydroxyingenol tetraacetate
TL;DR: 16-Hydroxyingenol tetraacetate (CAS 52557-30-9) is a chemical compound with molecular formula C28H36O10 and molecular weight 532.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4S,5R,6R,10R,11S,12R,14R)-4,6-diacetyloxy-11-(acetyloxymethyl)-5-hydroxy-3,11,14-trimethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate
Also Known As: 16-Hydroxyingenol tetraacetate, 1H-2,8a-Methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one, 5,7-bis(acetyloxy)-1,4-bis((acetyloxy)methyl)-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,7,9-trimethyl-, (1S-(1alpha,1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-, [(1S,1aR,5R,5aR,6S,8aS,9R,10aR)-5,6-Bis(acetyloxy)-5a-hydroxy-1,7,9-trimethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulene-1,4-diyl]bis(methylene) diacetate, [5,6-Bis(acetyloxy)-5a-hydroxy-1,7,9-trimethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulene-1,4-diyl]bis(methylene) diacetate
| Molecular Formula | C28H36O10 |
|---|---|
| Molecular Weight | 532.23 g/mol |
| LogP | 2.0708 |
| Topological Polar Surface Area | 142.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.23083 |
| Heavy Atoms | 38 |
| Complexity | 1152.2766 |
Chemical Identifiers
| CAS Number | 52557-30-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H]([C@@]2(C)COC(=O)C)C3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C)C)O)OC(=O)C)COC(=O)C |
Product Overview
16-Hydroxyingenol tetraacetate (CAS 52557-30-9), with molecular formula C28H36O10 and molecular weight 532.23 g/mol. IUPAC: [(1S,4S,5R,6R,10R,11S,12R,14R)-4,6-diacetyloxy-11-(acetyloxymethyl)-5-hydroxy-3,11,14-trimethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate.
Chemical Property Profile of 16-Hydroxyingenol tetraacetate
Property Insights of 16-Hydroxyingenol tetraacetate
The XLogP value of 2.0708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Hydroxyingenol tetraacetate. The TPSA of 142.5 Ų indicates high polarity, suggesting 16-Hydroxyingenol tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16-Hydroxyingenol tetraacetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Hydroxyingenol tetraacetate?
The CAS number of 16-Hydroxyingenol tetraacetate is 52557-30-9.
What is the molecular formula of 16-Hydroxyingenol tetraacetate?
The molecular formula of 16-Hydroxyingenol tetraacetate is C28H36O10.
What is the molecular weight of 16-Hydroxyingenol tetraacetate?
The molecular weight of 16-Hydroxyingenol tetraacetate is 532.23 g/mol.
Where can I buy 16-Hydroxyingenol tetraacetate?
You can request a quote for 16-Hydroxyingenol tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxyingenol tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxyingenol tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.