Alliospiroside C
TL;DR: Alliospiroside C (CAS 114317-57-6) is a chemical compound with molecular formula C38H60O13 and molecular weight 724.4034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Alliospiroside C, (3R,4R,5R,6R)-2-(((2R,3S,4S,5R)-2-(((2'R,4R,4'S,5'R,6R,6aR,8aS,9S)-4,4'-dihydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol [M+H]+, 2-[2-(4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Technical Specifications
| Molecular Formula | C38H60O13 |
| Molecular Weight | 724.4034 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 724.4034 Da |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
| SMILES | CC1COC2(CC1O)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C |
| InChIKey | CEUOJNPNKKLCDB-UHFFFAOYSA-N |
Chemical Property Profile of Alliospiroside C
Property Insights of Alliospiroside C
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alliospiroside C. The TPSA of 197.0 Ų indicates high polarity, suggesting Alliospiroside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alliospiroside C has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Alliospiroside C?
The CAS number of Alliospiroside C is 114317-57-6.
What is the molecular formula of Alliospiroside C?
The molecular formula of Alliospiroside C is C38H60O13.
What is the molecular weight of Alliospiroside C?
The molecular weight of Alliospiroside C is 724.4034 g/mol.
Where can I buy Alliospiroside C?
You can request a quote for Alliospiroside C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alliospiroside C?
Yes, CoreyChem provides custom synthesis services for Alliospiroside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.