(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
PubChem CID: 73834440
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| Compound Synonyms | (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one, 28-Homoteasterone, CHEBI:171899, 17-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 33.0 |
| Description | Constituent of ricebran (Oryza sativa). (3alpha,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one is found in cereals and cereal products and rice. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 720.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 6.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H50O4 |
| Inchi Key | DYENWMUXSKPFLC-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | 28-Homotyphasterol, (3b,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one, (3Β,22R,23R,24S)-3,22,23-trihydroxystigmastan-6-one, 28-Homoteasterone |
| Compound Name | (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one |
| Kingdom | Organic compounds |
| Exact Mass | 462.371 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 462.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 462.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3 |
| Smiles | CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all