31-Nordehydrolanosterol
PubChem CID: 157010015
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| Compound Synonyms | 31-Nordehydrolanosterol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | KOCCENHALVMYOT-UTTOWGKWSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 31-NORDEHYDROLANASTEROL |
| Heavy Atom Count | 29.0 |
| Compound Name | 31-Nordehydrolanosterol |
| Description | 31-nordehydrolanosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 31-nordehydrolanosterol can be found in dandelion, which makes 31-nordehydrolanosterol a potential biomarker for the consumption of this food product. |
| Exact Mass | 396.339 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.339 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 396.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,10,14,19-20,22-24,26,29H,7,9,11-13,15-17H2,1-6H3/t19-,20?,22-,23+,24+,26+,27-,28+/m1/s1 |
| Smiles | CC1[C@H](CC[C@]2([C@H]1CC=C3C2=CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)O |
| Xlogp | 7.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H44O |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all