![3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide structure](/static/products/2030/20300-44-1.webp)
3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
TL;DR: 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide (CAS 20300-44-1) is a chemical compound with molecular formula C30H42O10 and molecular weight 562.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Degluco-hellebrin, Desgluco-hellebrin [German], Hellebrigenin-L-rhamnosid [German], 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide, (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C30H42O10 |
|---|---|
| Molecular Weight | 562.28 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.2778 |
| Heavy Atoms | 40 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 20300-44-1 |
|---|---|
| SMILES | CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O |
| InChIKey | HNNFRQFXBWSJBX-YWRJWMALSA-N |
Product Overview
3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide (CAS 20300-44-1), with molecular formula C30H42O10 and molecular weight 562.28 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
Property Insights of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
The XLogP value of -0.1 indicates that 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide?
The CAS number of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide is 20300-44-1.
What is the molecular formula of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide?
The molecular formula of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide is C30H42O10.
What is the molecular weight of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide?
The molecular weight of 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide is 562.28 g/mol.
Where can I buy 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide?
You can request a quote for 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.