Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
TL;DR: Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate (CAS 28057-72-9) is a chemical compound with molecular formula C31H40O8 and molecular weight 540.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,5R,6R,10S,13R,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate
Also Known As: MIOE, Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate, [(1S,2S,5R,6R,10S,13R,14R,16S)-6-(Furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate, 7,11-Methano-2H-cycloocta(f)(2)benzopyran-8-acetic acid, 4-(3-furanyl)-1,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (4alpha,4aalpha,6aalpha,7alpha,8alpha,10beta,11alpha,12balpha)-, (4R,4aR,6aS,7S,8S,10R,11R,12bS)-4-(Furan-3-yl)-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-2H-7,11-methanocycloocta[3,4]benzo[1,2-c]pyran-10-yl 2-methylpropanoate
| Molecular Formula | C31H40O8 |
|---|---|
| Molecular Weight | 540.27 g/mol |
| LogP | 5.2186 |
| Topological Polar Surface Area | 109.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.27234 |
| Heavy Atoms | 39 |
| Complexity | 1209.0496 |
Chemical Identifiers
| CAS Number | 28057-72-9 |
|---|---|
| SMILES | CC(C)C(=O)O[C@@H]1[C@H]2C=C3[C@H](CC[C@@]4([C@H]3CC(=O)O[C@H]4C5=COC=C5)C)[C@](C2=O)([C@H](C1(C)C)CC(=O)OC)C |
Product Overview
Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate (CAS 28057-72-9), with molecular formula C31H40O8 and molecular weight 540.27 g/mol. IUPAC: [(1S,2S,5R,6R,10S,13R,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate.
Chemical Property Profile of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
Property Insights of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
The XLogP value of 5.2186 indicates that Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate. Following Lipinski's Rule of Five, Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate?
The CAS number of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate is 28057-72-9.
What is the molecular formula of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate?
The molecular formula of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate is C31H40O8.
What is the molecular weight of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate?
The molecular weight of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate is 540.27 g/mol.
Where can I buy Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate?
You can request a quote for Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.