TL;DR: Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- (CAS 119812-43-0) is a chemical compound with molecular formula C27H44O8 and molecular weight 496.30362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,5R,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Also Known As: Polypodine b, KST-1A0852, 2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one, (2, A,3
| Molecular Formula | C27H44O8 |
| Molecular Weight | 496.30362 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.30362 Da |
| Heavy Atoms | 35 |
| Complexity | 917.0 |
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O |
| InChIKey | GMFLGNRCCFYOKL-FSRANHRFSA-N |
The XLogP value of -0.3 indicates that Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- is 119812-43-0.
The molecular formula of Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- is C27H44O8.
The molecular weight of Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5a,22R)- is 496.30362 g/mol.
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