6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate
TL;DR: 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate (CAS 96850-29-2) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate
Also Known As: (dihydroxy-dimethyl-methylene-oxo-[?]yl) acetate, 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate, [(1R,2R,5R,7R,8R,9S,10S,11S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1^{5,8.0^{1,11.0^{2,8]octadec-13-en-7-yl] acetate, CID 91884875
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 96850-29-2 |
|---|---|
| SMILES | CC(=O)OC1C(=C)C2CCC3C1(C2)C4(C(C5C3(CO4)C(=O)C=CC5(C)C)O)O |
| InChIKey | KNRAGAKNFNKKQF-UHFFFAOYSA-N |
Product Overview
6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate (CAS 96850-29-2), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: (9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl) acetate.
Chemical Property Profile of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate
Property Insights of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate. Following Lipinski's Rule of Five, 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate has 2 hydrogen bond donor(s) and 6 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 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate?
The CAS number of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate is 96850-29-2.
What is the molecular formula of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate?
The molecular formula of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate is C22H28O6.
What is the molecular weight of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate?
The molecular weight of 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate is 388.19 g/mol.
Where can I buy 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate?
You can request a quote for 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydroxy-1-oxo-7,20-epoxykaura-2,16-dien-15-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.