Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- (CAS 89015-88-3) is a chemical compound with molecular formula C33H42O11 and molecular weight 614.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-[1,5-dimethyl-2-(4-oxopentanoyloxymethyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 1-O-[(E)-5-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-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methoxy-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2Z,4E,6(E)))-
| Molecular Formula | C33H42O11 |
|---|---|
| Molecular Weight | 614.27 g/mol |
| LogP | 3.6485 |
| Topological Polar Surface Area | 144.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 614.2727 |
| Heavy Atoms | 44 |
| Complexity | 1286.1793 |
Chemical Identifiers
| CAS Number | 89015-88-3 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)/C=C/C=C/C(=O)OCC/C(=C/C(=O)OC)/C)C)COC(=O)CCC(=O)C |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- (CAS 89015-88-3), with molecular formula C33H42O11 and molecular weight 614.27 g/mol. IUPAC: 6-O-[1,5-dimethyl-2-(4-oxopentanoyloxymethyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 1-O-[(E)-5-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-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-
The XLogP value of 3.6485 indicates that Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.03 Ų indicates high polarity, suggesting Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- has 0 hydrogen bond donor(s) and 11 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-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- is 89015-88-3.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- is C33H42O11.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- is 614.27 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- 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-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methyl-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2E,4E,6(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.