Ergostane-3,6-dione
PubChem CID: 76380930
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| Compound Synonyms | Ergostane-3,6-dione, 3-(4-aminobutylamino)propylsulfanylphosphonic Acid, 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione, 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,6-dione, Campestane-3,6-dione, CHEBI:175324, 88662-00-4 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | VETZNBAGZJYCQT-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-(4-Aminobutylamino)propylsulfanylonic acid, 3-(4-aminobutylamino)propylsulfanylphosphonic Acid, Campestane-3,6-dione, Ergostane-3,6-dione |
| Heavy Atom Count | 30.0 |
| Compound Name | Ergostane-3,6-dione |
| Description | Constituent of Phoenix dactylifera (date). Ergostane-3,6-dione is found in date and fruits. |
| Exact Mass | 414.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.35 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 680.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 414.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-19,21-25H,7-16H2,1-6H3 |
| Smiles | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C |
| Xlogp | 7.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H46O2 |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all