Sitoindoside X
TL;DR: Sitoindoside X (CAS 14120-36-6) is a chemical compound with molecular formula C50H78O12 and molecular weight 870.5493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate
Also Known As: Sitoindoside X, 4-hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl 6-o-hexadecanoylhexopyranoside, [3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate, Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22-dihydroxy-1-oxo-27-((6-O-(1-oxohexadecyl)-beta-D-glucopyranosyl)oxy)-, delta-lactone, (4beta,5beta,6beta,22R)-
Technical Specifications
| Molecular Formula | C50H78O12 |
| Molecular Weight | 870.5493 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 870.5493 Da |
| Heavy Atoms | 62 |
| Complexity | 1640.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCC2=C(CC(OC2=O)C(C)C3CCC4C3(CCC5C4CC6C7(C5(C(=O)C=CC7O)C)O6)C)C)O)O)O |
| InChIKey | AGNOSYRBHQJIEE-UHFFFAOYSA-N |
Chemical Property Profile of Sitoindoside X
Property Insights of Sitoindoside X
The XLogP value of 9.0 indicates that Sitoindoside X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting Sitoindoside X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sitoindoside X has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sitoindoside X?
The CAS number of Sitoindoside X is 14120-36-6.
What is the molecular formula of Sitoindoside X?
The molecular formula of Sitoindoside X is C50H78O12.
What is the molecular weight of Sitoindoside X?
The molecular weight of Sitoindoside X is 870.5493 g/mol.
Where can I buy Sitoindoside X?
You can request a quote for Sitoindoside X directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sitoindoside X?
Yes, CoreyChem provides custom synthesis services for Sitoindoside X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.