(24r)-14alpha-Methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol
PubChem CID: 157009911
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| Compound Synonyms | (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | NPGVSXYVQBUVAB-AIFFMEJNSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | (24r)-14alpha-Methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol |
| Description | (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol can be found in cucumber, which makes (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 428.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.402 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 678.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 428.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5S,10S,13R,14S)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h15,20-25,27,31H,8-14,16-19H2,1-7H3/t21-,22+,23+,24+,25?,27?,28+,29-,30+/m1/s1 |
| Smiles | CC[C@@H](CC[C@@H](C)C1CC[C@@]2([C@@]1(CC=C3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C)C(C)C |
| Xlogp | 9.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H52O |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all