(3S,5S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 157009892
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| Compound Synonyms | 5alpha-Cholest-8(14)-en-3beta-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ONYPIMNXSARKFQ-SCGBYFLASA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | (3S,5S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Description | 5alpha-cholest-8(14)-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-cholest-8(14)-en-3beta-ol can be found in a number of food items such as green bell pepper, red bell pepper, yellow bell pepper, and orange bell pepper, which makes 5alpha-cholest-8(14)-en-3beta-ol a potential biomarker for the consumption of these food products. |
| Exact Mass | 386.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 603.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 386.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,5S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23?,25?,26+,27-/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)C1CCC2=C3CC[C@H]4C[C@H](CC[C@@]4(C3CC[C@]12C)C)O |
| Xlogp | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H46O |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all