Sitoindoside Ix
TL;DR: Sitoindoside Ix (CAS 13909-12-1) is a chemical compound with molecular formula C34H48O11 and molecular weight 632.31964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: Sitoindoside IX, KST-1A1267, 27-O-beta-D-glucopyranosylwithaferin A, J1.203.622A, (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Technical Specifications
| Molecular Formula | C34H48O11 |
| Molecular Weight | 632.31964 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 632.31964 Da |
| Heavy Atoms | 45 |
| Complexity | 1300.0 |
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | WKCJIGSUKSPCKI-WNXUODGFSA-N |
Chemical Property Profile of Sitoindoside Ix
Property Insights of Sitoindoside Ix
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitoindoside Ix. The TPSA of 176.0 Ų indicates high polarity, suggesting Sitoindoside Ix may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sitoindoside Ix has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sitoindoside Ix?
The CAS number of Sitoindoside Ix is 13909-12-1.
What is the molecular formula of Sitoindoside Ix?
The molecular formula of Sitoindoside Ix is C34H48O11.
What is the molecular weight of Sitoindoside Ix?
The molecular weight of Sitoindoside Ix is 632.31964 g/mol.
Where can I buy Sitoindoside Ix?
You can request a quote for Sitoindoside Ix directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sitoindoside Ix?
Yes, CoreyChem provides custom synthesis services for Sitoindoside Ix and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.