Shinjulactone B
TL;DR: Shinjulactone B (CAS 80648-28-8) is a chemical compound with molecular formula C19H22O7 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R,12S)-11-hydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-5-oxatricyclo[6.3.1.04,12]dodec-1(11)-ene-6,10-dione
Also Known As: Shinjulactone B, 2H-Cyclopenta(ij)(2)benzopyran-2,5(3H)-dione, 7-((2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl)-3a,4,7,8,8a,8b-hexahydro-6-hydroxy-8b-(hydroxymethyl)-4,7-dimethyl-, (2S,3aS,4R,7S,8aR,8bS)-, hydroxy-(hydroxymethyl)-dimethyl-[(2S)-3-methyl-5-oxo-2H-furan-2-yl][?]dione, (7S,8aR,8bS)-6-Hydroxy-8b-(hydroxymethyl)-4,7-dimethyl-7-[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]-3a,4,7,8,8a,8b-hexahydro-2H-indeno[1,7-bc]pyran-2,5(3H)-dione, 2H-Cyclopenta[ij][2]benzopyran-2,5(3H)-dione, 7-[(2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-6-hydroxy-8b-(hydroxymethyl)-4,7-dimethyl-, (2S,3aS,4R,7S,8aR,8bS)-
| Molecular Formula | C19H22O7 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 1.2094 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.13657 |
| Heavy Atoms | 26 |
| Complexity | 793.70935 |
Chemical Identifiers
| CAS Number | 80648-28-8 |
|---|---|
| SMILES | CC1C2CC(=O)O[C@H]3[C@@]2(C(=C(C1=O)O)[C@@](C3)(C)[C@@H]4C(=CC(=O)O4)C)CO |
Product Overview
Shinjulactone B (CAS 80648-28-8), with molecular formula C19H22O7 and molecular weight 362.14 g/mol. IUPAC: (2S,4R,12S)-11-hydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-5-oxatricyclo[6.3.1.04,12]dodec-1(11)-ene-6,10-dione.
Chemical Property Profile of Shinjulactone B
Property Insights of Shinjulactone B
The XLogP value of 1.2094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shinjulactone B. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Shinjulactone B. Following Lipinski's Rule of Five, Shinjulactone B has 2 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 Shinjulactone B?
The CAS number of Shinjulactone B is 80648-28-8.
What is the molecular formula of Shinjulactone B?
The molecular formula of Shinjulactone B is C19H22O7.
What is the molecular weight of Shinjulactone B?
The molecular weight of Shinjulactone B is 362.14 g/mol.
Where can I buy Shinjulactone B?
You can request a quote for Shinjulactone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shinjulactone B?
Yes, KEHONG BIO provides custom synthesis services for Shinjulactone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.