Orthenine
TL;DR: Orthenine (CAS 101241-19-4) is a chemical compound with molecular formula C58H88O19 and molecular weight 1088.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Also Known As: Orthenine, (8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-(5-(5-(5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta(a)phenanthren-12-yl) (E)-3-phenylprop-2-enoate, [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
| Molecular Formula | C58H88O19 |
|---|---|
| Molecular Weight | 1088.59 g/mol |
| LogP | 5.0273 |
| Topological Polar Surface Area | 238.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 1088.592 |
| Heavy Atoms | 77 |
| Complexity | 2216.4792 |
Chemical Identifiers
| CAS Number | 101241-19-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(C)O)O)C)OC(=O)/C=C/C9=CC=CC=C9)C)C)C)C)OC)O |
Product Overview
Orthenine (CAS 101241-19-4), with molecular formula C58H88O19 and molecular weight 1088.59 g/mol. IUPAC: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Orthenine
Property Insights of Orthenine
The XLogP value of 5.0273 indicates that Orthenine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.21 Ų indicates high polarity, suggesting Orthenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orthenine has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orthenine?
The CAS number of Orthenine is 101241-19-4.
What is the molecular formula of Orthenine?
The molecular formula of Orthenine is C58H88O19.
What is the molecular weight of Orthenine?
The molecular weight of Orthenine is 1088.59 g/mol.
Where can I buy Orthenine?
You can request a quote for Orthenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orthenine?
Yes, KEHONG BIO provides custom synthesis services for Orthenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.