Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-
TL;DR: Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- (CAS 131193-54-9) is a chemical compound with molecular formula C33H48O7 and molecular weight 556.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] (9E,12Z,15Z)-octadeca-9,12,15-trienoate
Also Known As: Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-
| Molecular Formula | C33H48O7 |
|---|---|
| Molecular Weight | 556.34 g/mol |
| LogP | 5.3027 |
| Topological Polar Surface Area | 105.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 556.34 |
| Heavy Atoms | 40 |
| Complexity | 1021.81635 |
Chemical Identifiers
| CAS Number | 131193-54-9 |
|---|---|
| SMILES | CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)O[C@@H]1C[C@@]2([C@@]3([C@@H](C=C(C(=O)[C@H]3O)C)O[C@H]1C24CO4)CO)C |
Product Overview
Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- (CAS 131193-54-9), with molecular formula C33H48O7 and molecular weight 556.34 g/mol. IUPAC: [(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] (9E,12Z,15Z)-octadeca-9,12,15-trienoate.
Chemical Property Profile of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-
Property Insights of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-
The XLogP value of 5.3027 indicates that Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-. Following Lipinski's Rule of Five, Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- has 2 hydrogen bond donor(s) and 7 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-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-?
The CAS number of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- is 131193-54-9.
What is the molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-?
The molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- is C33H48O7.
What is the molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-?
The molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- is 556.34 g/mol.
Where can I buy Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-?
You can request a quote for Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.