28-Deoxonimbolide
TL;DR: 28-Deoxonimbolide (CAS 147816-33-9) is a chemical compound with molecular formula C27H32O6 and molecular weight 452.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1R,2S,4R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
Also Known As: 28-Deoxonimbolide, nimbolide, 28-deoxo-, Methyl 2-[(1R,2S,4R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate, 2H,5H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 8-(3-furanyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-5-oxo-, methyl ester, (2aR-(2aalpha,5aalpha,6alpha,6aalpha,8beta,9abeta,10alpha,10balpha,10cbeta))-, methyl [(2aR,5aR,6S,6aR,9aR,10aS,10bR,10cS)-8-(furan-3-yl)-2a,5a,6a,7-tetramethyl-5-oxo-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-yl]acetate
| Molecular Formula | C27H32O6 |
|---|---|
| Molecular Weight | 452.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.21988 |
| Heavy Atoms | 33 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 147816-33-9 |
|---|---|
| SMILES | CC1=C2[C@@H](CC1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@H]6[C@H]4OC[C@@]6(C=CC5=O)C)C)CC(=O)OC)C |
| InChIKey | CWGBIWRWBCYASK-DVTNSOTCSA-N |
Product Overview
28-Deoxonimbolide (CAS 147816-33-9), with molecular formula C27H32O6 and molecular weight 452.22 g/mol. IUPAC: methyl 2-[(1R,2S,4R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate.
Chemical Property Profile of 28-Deoxonimbolide
Property Insights of 28-Deoxonimbolide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 28-Deoxonimbolide. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 28-Deoxonimbolide. Following Lipinski's Rule of Five, 28-Deoxonimbolide has 0 hydrogen bond donor(s) and 6 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 28-Deoxonimbolide?
The CAS number of 28-Deoxonimbolide is 147816-33-9.
What is the molecular formula of 28-Deoxonimbolide?
The molecular formula of 28-Deoxonimbolide is C27H32O6.
What is the molecular weight of 28-Deoxonimbolide?
The molecular weight of 28-Deoxonimbolide is 452.22 g/mol.
Where can I buy 28-Deoxonimbolide?
You can request a quote for 28-Deoxonimbolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 28-Deoxonimbolide?
Yes, KEHONG BIO provides custom synthesis services for 28-Deoxonimbolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.