Provincialin
TL;DR: Provincialin (CAS 40328-96-9) is a chemical compound with molecular formula C27H34O10 and molecular weight 518.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate
Also Known As: PROVINCIALIN, [(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate, (3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-({[(2E)-2-(hydroxymethyl)but-2-enoyl]oxy}methyl)but-2-enoate, (E)-4-Hydroxy-2-[[[(E)-2-hydroxymethyl-1-oxo-2-butenyl]oxy]methyl]-2-butenoic acid (3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, 2-Butenoic acid, 4-hydroxy-2-[[[(2E)-2-(hydroxymethyl)-1-oxo-2-buten-1-yl]oxy]methyl]-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-
| Molecular Formula | C27H34O10 |
|---|---|
| Molecular Weight | 518.22 g/mol |
| LogP | 2.0146 |
| Topological Polar Surface Area | 145.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.2152 |
| Heavy Atoms | 37 |
| Complexity | 1045.405 |
Chemical Identifiers
| CAS Number | 40328-96-9 |
|---|---|
| SMILES | C/C=C(\CO)/C(=O)OC/C(=C\CO)/C(=O)O[C@@H]1C/C(=C/C[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)OC(=O)C)/C |
Product Overview
Provincialin (CAS 40328-96-9), with molecular formula C27H34O10 and molecular weight 518.22 g/mol. IUPAC: [(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate.
Chemical Property Profile of Provincialin
Property Insights of Provincialin
The XLogP value of 2.0146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Provincialin. The TPSA of 145.66 Ų indicates high polarity, suggesting Provincialin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Provincialin has 2 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 Provincialin?
The CAS number of Provincialin is 40328-96-9.
What is the molecular formula of Provincialin?
The molecular formula of Provincialin is C27H34O10.
What is the molecular weight of Provincialin?
The molecular weight of Provincialin is 518.22 g/mol.
Where can I buy Provincialin?
You can request a quote for Provincialin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Provincialin?
Yes, KEHONG BIO provides custom synthesis services for Provincialin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.