15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene
TL;DR: 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene (CAS 83709-97-1) is a chemical compound with molecular formula C19H26O7 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate
Also Known As: Cid 127619, KST-1A8478, 15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene, [(2s,3as,4s,5ar,9ar,10as)-3a-hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydrospiro[4,10-methano[1,3]dioxolo[4,5-c][1]benzoxepine-11,2'-oxiran]-9a(5ah)-yl]methyl acetate, [(2R,7R,9S,10S,12S,14S)-10-Hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate
| Molecular Formula | C19H26O7 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.16785 |
| Heavy Atoms | 26 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 83709-97-1 |
|---|---|
| SMILES | C[C@H]1O[C@@H]2[C@](O1)([C@@H]3C4(C2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)C)C)CO4)O |
| InChIKey | WRFNZQVIXFWODS-GITKUUESSA-N |
Product Overview
15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene (CAS 83709-97-1), with molecular formula C19H26O7 and molecular weight 366.17 g/mol. IUPAC: [(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene
Property Insights of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene. Following Lipinski's Rule of Five, 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene has 1 hydrogen bond donor(s) and 7 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 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene?
The CAS number of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene is 83709-97-1.
What is the molecular formula of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene?
The molecular formula of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene is C19H26O7.
What is the molecular weight of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene?
The molecular weight of 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene is 366.17 g/mol.
Where can I buy 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene?
You can request a quote for 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene?
Yes, KEHONG BIO provides custom synthesis services for 15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.