Spinoside A
TL;DR: Spinoside A (CAS 119626-74-3) is a chemical compound with molecular formula C39H56O12 and molecular weight 716.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetyloxy-6-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate
Also Known As: Spinoside A, [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate, [5-acetyloxy-6-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate
| Molecular Formula | C39H56O12 |
|---|---|
| Molecular Weight | 716.38 g/mol |
| LogP | 4.0453 |
| Topological Polar Surface Area | 186.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 716.3772 |
| Heavy Atoms | 51 |
| Complexity | 1548.5326 |
Chemical Identifiers
| CAS Number | 119626-74-3 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1O)OC(=O)C)OC2CC3(C4CC=C5C(C4(CCC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)C=C(C(=O)C5(C)C)O)C |
Product Overview
Spinoside A (CAS 119626-74-3), with molecular formula C39H56O12 and molecular weight 716.38 g/mol. IUPAC: [5-acetyloxy-6-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate.
Chemical Property Profile of Spinoside A
Property Insights of Spinoside A
The XLogP value of 4.0453 indicates that Spinoside A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.12 Ų indicates high polarity, suggesting Spinoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spinoside A has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spinoside A?
The CAS number of Spinoside A is 119626-74-3.
What is the molecular formula of Spinoside A?
The molecular formula of Spinoside A is C39H56O12.
What is the molecular weight of Spinoside A?
The molecular weight of Spinoside A is 716.38 g/mol.
Where can I buy Spinoside A?
You can request a quote for Spinoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spinoside A?
Yes, KEHONG BIO provides custom synthesis services for Spinoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.