24epsilon-Ethyl-25(27)-dehydrolophenol
PubChem CID: 157009912
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| Compound Synonyms | 24epsilon-Ethyl-25(27)-dehydrolophenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | GHXNTTGYUBGTRM-GNYYIKLASA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | 24epsilon-Ethyl-25(27)-dehydrolophenol |
| Description | 24epsilon-ethyl-25(27)-dehydrolophenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24epsilon-ethyl-25(27)-dehydrolophenol can be found in cucumber, which makes 24epsilon-ethyl-25(27)-dehydrolophenol a potential biomarker for the consumption of this food product. |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 705.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,4S,5S,10S,13R,17R)-17-[(2R)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,20-22,24-28,31H,2,8-10,12-18H2,1,3-7H3/t20-,21+,22?,24-,25+,26?,27?,28+,29-,30+/m1/s1 |
| Smiles | CCC(CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)C(=C)C |
| Xlogp | 9.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H50O |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all