7,8-Dihydroxydiacetoxyscirpenol
TL;DR: 7,8-Dihydroxydiacetoxyscirpenol (CAS 54831-24-2) is a chemical compound with molecular formula C19H26O9 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 7,8-Dihydroxydiacetoxyscirpenol, Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3-alpha,4-beta)-, 3,7,8-Trihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate, (12xi)-3,7,8-Trihydroxy-3alpha,4beta-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate, Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-
| Molecular Formula | C19H26O9 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.15768 |
| Heavy Atoms | 28 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 54831-24-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C(C1O)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | ARKWUSFUCGIADI-GVDPSCCPSA-N |
Product Overview
7,8-Dihydroxydiacetoxyscirpenol (CAS 54831-24-2), with molecular formula C19H26O9 and molecular weight 398.16 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 7,8-Dihydroxydiacetoxyscirpenol
Property Insights of 7,8-Dihydroxydiacetoxyscirpenol
The XLogP value of -1.9 indicates that 7,8-Dihydroxydiacetoxyscirpenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dihydroxydiacetoxyscirpenol. Following Lipinski's Rule of Five, 7,8-Dihydroxydiacetoxyscirpenol has 3 hydrogen bond donor(s) and 9 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 7,8-Dihydroxydiacetoxyscirpenol?
The CAS number of 7,8-Dihydroxydiacetoxyscirpenol is 54831-24-2.
What is the molecular formula of 7,8-Dihydroxydiacetoxyscirpenol?
The molecular formula of 7,8-Dihydroxydiacetoxyscirpenol is C19H26O9.
What is the molecular weight of 7,8-Dihydroxydiacetoxyscirpenol?
The molecular weight of 7,8-Dihydroxydiacetoxyscirpenol is 398.16 g/mol.
Where can I buy 7,8-Dihydroxydiacetoxyscirpenol?
You can request a quote for 7,8-Dihydroxydiacetoxyscirpenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxydiacetoxyscirpenol?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxydiacetoxyscirpenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.