Rubratoxin B, triacetate
TL;DR: Rubratoxin B, triacetate (CAS 33311-51-2) is a chemical compound with molecular formula C32H36O14 and molecular weight 644.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate
Also Known As: Rubratoxin B, triacetate, Rubratoxin B triacetate, KST-1A3885, (s)-{(4r)-4-(acetyloxy)-5-[(1r)-1-(acetyloxy)heptyl]-1,3,6,8-tetraoxo-3,4,5,6,8,9,10,11-octahydro-1h-cyclonona[1,2-c:5,6-c']difuran-10-yl}(6-oxo-3,6-dihydro-2h-pyran-2-yl)methyl acetate, {4-(acetyloxy)-5-[1-(acetyloxy)heptyl]-1,3,6,8-tetraoxo-3,4,5,6,8,9,10,11-octahydro-1h-cyclonona[1,2-c:5,6-c']difuran-10-yl}(6-oxo-3,6-dihydro-2h-pyran-2-yl)methyl acetate
| Molecular Formula | C32H36O14 |
|---|---|
| Molecular Weight | 644.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 644.2105 |
| Heavy Atoms | 46 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 33311-51-2 |
|---|---|
| SMILES | CCCCCC[C@H](C1[C@H](C2=C(CC(CC3=C1C(=O)OC3=O)[C@@H](C4CC=CC(=O)O4)OC(=O)C)C(=O)OC2=O)OC(=O)C)OC(=O)C |
| InChIKey | RLPCKDQGNOVADL-XZJZCARSSA-N |
Product Overview
Rubratoxin B, triacetate (CAS 33311-51-2), with molecular formula C32H36O14 and molecular weight 644.21 g/mol. IUPAC: [(2R)-3-[(1R)-1-acetyloxyheptyl]-10-[(S)-acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate.
Chemical Property Profile of Rubratoxin B, triacetate
Property Insights of Rubratoxin B, triacetate
The XLogP value of 3.2 indicates that Rubratoxin B, triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Rubratoxin B, triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubratoxin B, triacetate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rubratoxin B, triacetate?
The CAS number of Rubratoxin B, triacetate is 33311-51-2.
What is the molecular formula of Rubratoxin B, triacetate?
The molecular formula of Rubratoxin B, triacetate is C32H36O14.
What is the molecular weight of Rubratoxin B, triacetate?
The molecular weight of Rubratoxin B, triacetate is 644.21 g/mol.
Where can I buy Rubratoxin B, triacetate?
You can request a quote for Rubratoxin B, triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubratoxin B, triacetate?
Yes, KEHONG BIO provides custom synthesis services for Rubratoxin B, triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.