TL;DR: 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol (CAS 6890-88-6) is a chemical compound with molecular formula C31H52O and molecular weight 440.40182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Eburicol, Ebericol, Obtusifoldienol, 2-Methoxybenzoylacetonitrile, 24-Methylenelanost-8-en-3beta-ol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C31H52O |
| Molecular Weight | 440.40182 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.40182 Da |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | XJLZCPIILZRCPS-BGIAOWSUSA-N |
The XLogP value of 9.4 indicates that 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol is 6890-88-6.
The molecular formula of 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol is C31H52O.
The molecular weight of 4,4,14a-Trimethylergosta-8,24(28)-dien-3b-ol is 440.40182 g/mol.
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