alpha-Oxodelphinine
TL;DR: alpha-Oxodelphinine (CAS 466-25-1) is a chemical compound with molecular formula C33H43NO10 and molecular weight 613.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,6S,8R,9R,10S,13S,17R)-8-acetyloxy-11-formyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: alpha-Oxodelphinine, (13xi,17S)-8-(Acetyloxy)-20-formyl-13-hydroxy-1,6,16beta-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
| Molecular Formula | C33H43NO10 |
|---|---|
| Molecular Weight | 613.29 g/mol |
| LogP | 1.843 |
| Topological Polar Surface Area | 130.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 613.2887 |
| Heavy Atoms | 44 |
| Complexity | 1326.6445 |
Chemical Identifiers
| CAS Number | 466-25-1 |
|---|---|
| SMILES | CC(=O)O[C@]12C[C@@H](C3(C[C@H]([C@@H]1C3OC(=O)C4=CC=CC=C4)C56[C@@H]7[C@@H]2C([C@@H]5[C@@](CCC6OC)(CN7C=O)COC)OC)O)OC |
Product Overview
alpha-Oxodelphinine (CAS 466-25-1), with molecular formula C33H43NO10 and molecular weight 613.29 g/mol. IUPAC: [(2R,3R,6S,8R,9R,10S,13S,17R)-8-acetyloxy-11-formyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of alpha-Oxodelphinine
Property Insights of alpha-Oxodelphinine
The XLogP value of 1.843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Oxodelphinine. The TPSA of 130.06 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Oxodelphinine. Following Lipinski's Rule of Five, alpha-Oxodelphinine has 1 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 alpha-Oxodelphinine?
The CAS number of alpha-Oxodelphinine is 466-25-1.
What is the molecular formula of alpha-Oxodelphinine?
The molecular formula of alpha-Oxodelphinine is C33H43NO10.
What is the molecular weight of alpha-Oxodelphinine?
The molecular weight of alpha-Oxodelphinine is 613.29 g/mol.
Where can I buy alpha-Oxodelphinine?
You can request a quote for alpha-Oxodelphinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Oxodelphinine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Oxodelphinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.