Nimbolidin A
TL;DR: Nimbolidin A (CAS 76689-95-7) is a chemical compound with molecular formula C40H48O12 and molecular weight 720.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4R,5R,7S,8R,9R,10R,11R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate
Also Known As: Nimbolidin A, 2H-Naphtho(1,8-bc)furan-6-acetic acid, 3,5-bis(acetyloxy)-7-((3R,5S)-5-(acetyloxy)-3-(3-furanyl)-2-methyl-1-cyclopenten-1-yl)-8-(benzoyloxy)decahydro-2a,5a,7-trimethyl-, methyl ester, (2aR,3R,5S,5aR,6R,7R,8S,8aR,8bR)-, (2aR,3R,5S,5aR,6R,7R,8R,8aR)-3,5-Bis(acetyloxy)-7-[(3R,5S)-5-(acetyloxy)-3-(furan-3-yl)-2-methylcyclopent-1-en-1-yl]-6-(2-methoxy-2-oxoethyl)-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-8-yl benzoate, 3,5-Bis(acetyloxy)-7-[5-(acetyloxy)-3-(furan-3-yl)-2-methylcyclopent-1-en-1-yl]-6-(2-methoxy-2-oxoethyl)-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-8-yl benzoate
| Molecular Formula | C40H48O12 |
|---|---|
| Molecular Weight | 720.31 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 720.3146 |
| Heavy Atoms | 52 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 76689-95-7 |
|---|---|
| SMILES | CC1=C([C@H](C[C@H]1C2=COC=C2)OC(=O)C)[C@]3([C@@H]([C@]4([C@H](C[C@H]([C@@]5(C4[C@H]([C@@H]3OC(=O)C6=CC=CC=C6)OC5)C)OC(=O)C)OC(=O)C)C)CC(=O)OC)C |
| InChIKey | NOANSNPNWFTAEY-RXWVJSADSA-N |
Product Overview
Nimbolidin A (CAS 76689-95-7), with molecular formula C40H48O12 and molecular weight 720.31 g/mol. IUPAC: [(1R,4R,5R,7S,8R,9R,10R,11R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate.
Chemical Property Profile of Nimbolidin A
Property Insights of Nimbolidin A
The XLogP value of 4.5 indicates that Nimbolidin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Nimbolidin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nimbolidin A has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nimbolidin A?
The CAS number of Nimbolidin A is 76689-95-7.
What is the molecular formula of Nimbolidin A?
The molecular formula of Nimbolidin A is C40H48O12.
What is the molecular weight of Nimbolidin A?
The molecular weight of Nimbolidin A is 720.31 g/mol.
Where can I buy Nimbolidin A?
You can request a quote for Nimbolidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimbolidin A?
Yes, KEHONG BIO provides custom synthesis services for Nimbolidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.