Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- (CAS 88969-00-0) is a chemical compound with molecular formula C29H38O9 and molecular weight 530.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 6-O-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enyl] (2E,4E)-hexa-2,4-dienedioate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-
| Molecular Formula | C29H38O9 |
|---|---|
| Molecular Weight | 530.25 g/mol |
| LogP | 3.1185 |
| Topological Polar Surface Area | 120.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.2516 |
| Heavy Atoms | 38 |
| Complexity | 1065.9198 |
Chemical Identifiers
| CAS Number | 88969-00-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/C=C/C(=O)OCC/C(=C/C(=O)OCC12CCC(=CC1OC3CC(C2(C34CO4)C)O)C)/C |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- (CAS 88969-00-0), with molecular formula C29H38O9 and molecular weight 530.25 g/mol. IUPAC: 1-O-ethyl 6-O-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enyl] (2E,4E)-hexa-2,4-dienedioate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-
The XLogP value of 3.1185 indicates that Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- is 88969-00-0.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- is C29H38O9.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- is 530.25 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.