(3S,8S,10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 157010016
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LYFPAZBMEUSVNA-CDVCEDLFSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-androsten-3beta-ol |
| Heavy Atom Count | 20.0 |
| Compound Name | (3S,8S,10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Description | Androsterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Androsterol can be found in dandelion, which makes androsterol a potential biomarker for the consumption of this food product. |
| Exact Mass | 274.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 274.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,8S,10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15-,16?,17?,18-,19-/m0/s1 |
| Smiles | C[C@@]12CCCC1[C@@H]3CC=C4C[C@H](CC[C@@]4(C3CC2)C)O |
| Xlogp | 5.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H30O |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all