(1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
TL;DR: (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione (CAS 138752-51-9) is a chemical compound with molecular formula C20H24O8 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S,6S,7R,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-14,18-dimethylspiro[2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
Also Known As: (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione, Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-, Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha,13-beta)-, (1S,2S,2'S,3aR,6aR,7aS,11S,11aS,11bS)-1,2,11-Trihydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-3,2'-oxirane]-5,10(4H,6aH)-dione, 1,2,11-Trihydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro(11c,1-(epoxymethano)phenanthro(10,1-bc)pyran-3,2'-oxirane)-5,10(4H,6aH)-dione
| Molecular Formula | C20H24O8 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | -0.906 |
| Topological Polar Surface Area | 125.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 392.14713 |
| Heavy Atoms | 28 |
| Complexity | 847.14374 |
Chemical Identifiers
| CAS Number | 138752-51-9 |
|---|---|
| SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@](CO4)([C@@H]([C@]6([C@@H]5CC(=O)O3)CO6)O)O)C)O |
Product Overview
(1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione (CAS 138752-51-9), with molecular formula C20H24O8 and molecular weight 392.15 g/mol. IUPAC: (4S,5S,6S,7R,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-14,18-dimethylspiro[2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione.
Chemical Property Profile of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
Property Insights of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
The XLogP value of -0.906 indicates that (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione. Following Lipinski's Rule of Five, (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione has 3 hydrogen bond donor(s) and 8 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 (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione?
The CAS number of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione is 138752-51-9.
What is the molecular formula of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione?
The molecular formula of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione is C20H24O8.
What is the molecular weight of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione?
The molecular weight of (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione is 392.15 g/mol.
Where can I buy (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione?
You can request a quote for (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione?
Yes, KEHONG BIO provides custom synthesis services for (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.