6aalpha,12a,12-Hydroxyelliptone
TL;DR: 6aalpha,12a,12-Hydroxyelliptone (CAS 111058-83-4) is a chemical compound with molecular formula C20H16O7 and molecular weight 368.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,13S)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
Also Known As: 6aalpha,12a,12-Hydroxyelliptone, J2.308.637I, (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)-, (1S,13S)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one, (6aS)-6abeta-Hydroxy-8,9-dimethoxy-6,6a,12,12abeta-tetrahydro[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6-one
Technical Specifications
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.0896 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.0896 Da |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
| SMILES | COC1=C(C=C2C(=C1)[C@@]3([C@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)O)OC |
| InChIKey | KHAJUSVOOGYFIJ-PXNSSMCTSA-N |
Chemical Property Profile of 6aalpha,12a,12-Hydroxyelliptone
Property Insights of 6aalpha,12a,12-Hydroxyelliptone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6aalpha,12a,12-Hydroxyelliptone. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6aalpha,12a,12-Hydroxyelliptone. Following Lipinski's Rule of Five, 6aalpha,12a,12-Hydroxyelliptone 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
What is the CAS number of 6aalpha,12a,12-Hydroxyelliptone?
The CAS number of 6aalpha,12a,12-Hydroxyelliptone is 111058-83-4.
What is the molecular formula of 6aalpha,12a,12-Hydroxyelliptone?
The molecular formula of 6aalpha,12a,12-Hydroxyelliptone is C20H16O7.
What is the molecular weight of 6aalpha,12a,12-Hydroxyelliptone?
The molecular weight of 6aalpha,12a,12-Hydroxyelliptone is 368.0896 g/mol.
Where can I buy 6aalpha,12a,12-Hydroxyelliptone?
You can request a quote for 6aalpha,12a,12-Hydroxyelliptone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6aalpha,12a,12-Hydroxyelliptone?
Yes, CoreyChem provides custom synthesis services for 6aalpha,12a,12-Hydroxyelliptone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.