Rohitukin
TL;DR: Rohitukin (CAS 62653-92-3) is a chemical compound with molecular formula C34H42O13 and molecular weight 658.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methylbutanoate
Also Known As: Rohitukin, [6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methylbutanoate, 6-[4-(acetyloxy)-5,9a-dimethyl-2,7-dioxooctahydro-2h-pyrano[3,4-b]oxepin-5-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxooctahydro-1h-inden-4-yl 3-methylbutanoate, [6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-furan-3-yl-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methylbutanoate, [6-(4-Acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-furan-3-yl-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl]3-methylbut
| Molecular Formula | C34H42O13 |
|---|---|
| Molecular Weight | 658.26 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.2625 |
| Heavy Atoms | 47 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 62653-92-3 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C5CC(=O)OCC5(OC(=O)CC4OC(=O)C)C)C)OC=O |
| InChIKey | BGIQNWKPRGQOMD-UHFFFAOYSA-N |
Product Overview
Rohitukin (CAS 62653-92-3), with molecular formula C34H42O13 and molecular weight 658.26 g/mol. IUPAC: [6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methylbutanoate.
Chemical Property Profile of Rohitukin
Property Insights of Rohitukin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rohitukin. The TPSA of 182.0 Ų indicates high polarity, suggesting Rohitukin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rohitukin 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 Rohitukin?
The CAS number of Rohitukin is 62653-92-3.
What is the molecular formula of Rohitukin?
The molecular formula of Rohitukin is C34H42O13.
What is the molecular weight of Rohitukin?
The molecular weight of Rohitukin is 658.26 g/mol.
Where can I buy Rohitukin?
You can request a quote for Rohitukin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rohitukin?
Yes, KEHONG BIO provides custom synthesis services for Rohitukin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.