TL;DR: Mosesin 1 (CAS 101691-11-6) is a chemical compound with molecular formula C37H60O11 and molecular weight 680.4136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methylheptan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Also Known As: Mosesin 1, [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methylheptan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate, [(25R)-26-(Acetyloxy)-3alpha,12alpha-dihydroxycholest-4-en-7alpha-yl] beta-D-galactopyranoside 6-acetate, 7-[(6-O-Acetylhexopyranosyl)oxy]-3,12-dihydroxycholest-4-en-26-yl acetate, (8xi,9xi,14xi,25R)-7alpha-[(6-O-Acetyl-beta-D-gulopyranosyl)oxy]-3,12alpha-dihydroxycholest-4-en-26-yl acetate
| Molecular Formula | C37H60O11 |
| Molecular Weight | 680.4136 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 680.4136 Da |
| Heavy Atoms | 48 |
| Complexity | 1180.0 |
| SMILES | C[C@H](CCC[C@@H](C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4=CC(CC[C@]34C)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)COC(=O)C)O)O)O)O)C)COC(=O)C |
| InChIKey | LRSSPUDWEXUPDK-UDZCFNNKSA-N |
The XLogP value of 3.7 indicates that Mosesin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Mosesin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mosesin 1 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mosesin 1 is 101691-11-6.
The molecular formula of Mosesin 1 is C37H60O11.
The molecular weight of Mosesin 1 is 680.4136 g/mol.
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