黄花夹竹桃次苷B
TL;DR: 黄花夹竹桃次苷B (CAS 1182-87-2) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄花夹竹桃次苷B
3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: peruvoside, Peruvosid, Encordin, Cannogenin thevetoside, Cannogenin alpha-L-thevetoside
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.30 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 1182-87-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O |
| InChIKey | PMTSPAGBAFCORP-UHFFFAOYSA-N |
Product Overview
黄花夹竹桃次苷B (CAS 1182-87-2), with molecular formula C30H44O9 and molecular weight 548.30 g/mol. IUPAC: 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 黄花夹竹桃次苷B
Property Insights of 黄花夹竹桃次苷B
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黄花夹竹桃次苷B. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 黄花夹竹桃次苷B. Following Lipinski's Rule of Five, 黄夹次苷 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 黄夹次苷?
The CAS number of 黄夹次苷 is 1182-87-2.
What is the molecular formula of 黄夹次苷?
The molecular formula of 黄夹次苷 is C30H44O9.
What is the molecular weight of 黄夹次苷?
The molecular weight of 黄夹次苷 is 548.30 g/mol.
Where can I buy 黄夹次苷?
You can request a quote for 黄夹次苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄夹次苷?
Yes, KEHONG BIO provides custom synthesis services for 黄夹次苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.