12beta-Hydroxyscillirosidin
TL;DR: 12beta-Hydroxyscillirosidin (CAS 154233-95-1) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6R,8S,9R,10R,12R,13S,14R,17R)-3,8,12,14-tetrahydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate
Also Known As: 12beta-Hydroxyscillirosidin, J1.689.814G, [(3S,6R,8S,9R,10R,12R,13S,14R,17R)-3,8,12,14-tetrahydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate, 6beta-Acetoxy-3beta,8beta,12beta,14beta-tetrahydroxybufa-4,20,22-trienolide, ((3S,6R,8S,9R,10R,12R,13S,14R,17R)-3,8,12,14-tetrahydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-6-yl) acetate
| Molecular Formula | C26H34O8 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.22537 |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 154233-95-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@]2([C@H](C[C@H]([C@]3([C@@]2(CC[C@@H]3C4=COC(=O)C=C4)O)C)O)[C@@]5(C1=C[C@H](CC5)O)C)O |
| InChIKey | VISZQEIOBOOGPB-XCLWKKTASA-N |
Product Overview
12beta-Hydroxyscillirosidin (CAS 154233-95-1), with molecular formula C26H34O8 and molecular weight 474.23 g/mol. IUPAC: [(3S,6R,8S,9R,10R,12R,13S,14R,17R)-3,8,12,14-tetrahydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate.
Chemical Property Profile of 12beta-Hydroxyscillirosidin
Property Insights of 12beta-Hydroxyscillirosidin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12beta-Hydroxyscillirosidin. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12beta-Hydroxyscillirosidin. Following Lipinski's Rule of Five, 12beta-Hydroxyscillirosidin has 4 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 12beta-Hydroxyscillirosidin?
The CAS number of 12beta-Hydroxyscillirosidin is 154233-95-1.
What is the molecular formula of 12beta-Hydroxyscillirosidin?
The molecular formula of 12beta-Hydroxyscillirosidin is C26H34O8.
What is the molecular weight of 12beta-Hydroxyscillirosidin?
The molecular weight of 12beta-Hydroxyscillirosidin is 474.23 g/mol.
Where can I buy 12beta-Hydroxyscillirosidin?
You can request a quote for 12beta-Hydroxyscillirosidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12beta-Hydroxyscillirosidin?
Yes, KEHONG BIO provides custom synthesis services for 12beta-Hydroxyscillirosidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.