Graminiliatrin
TL;DR: Graminiliatrin (CAS 53142-34-0) is a chemical compound with molecular formula C22H26O9 and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
Also Known As: Graminiliatrin, [(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate, (2R,3'aR,4'R,6'aS,7'S,7'aR,8'aS,8'bS,8'cS)-7'-Hydroxy-8'a-methyl-3'-methylidene-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl (2Z)-4-(acetyloxy)-2-methylbut-2-enoate
| Molecular Formula | C22H26O9 |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 0.4425 |
| Topological Polar Surface Area | 124.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.15768 |
| Heavy Atoms | 31 |
| Complexity | 902.65765 |
Chemical Identifiers
| CAS Number | 53142-34-0 |
|---|---|
| SMILES | C/C(=C/COC(=O)C)/C(=O)O[C@@H]1C[C@]2(CO2)[C@H]3[C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)[C@]5([C@@H]([C@H]3O)O5)C |
Product Overview
Graminiliatrin (CAS 53142-34-0), with molecular formula C22H26O9 and molecular weight 434.16 g/mol. IUPAC: [(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate.
Chemical Property Profile of Graminiliatrin
Property Insights of Graminiliatrin
The XLogP value of 0.4425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Graminiliatrin. The TPSA of 124.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Graminiliatrin. Following Lipinski's Rule of Five, Graminiliatrin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Graminiliatrin?
The CAS number of Graminiliatrin is 53142-34-0.
What is the molecular formula of Graminiliatrin?
The molecular formula of Graminiliatrin is C22H26O9.
What is the molecular weight of Graminiliatrin?
The molecular weight of Graminiliatrin is 434.16 g/mol.
Where can I buy Graminiliatrin?
You can request a quote for Graminiliatrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Graminiliatrin?
Yes, KEHONG BIO provides custom synthesis services for Graminiliatrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.