Ergosta-5,24(28)-dien-3beta-ol
PubChem CID: 314582
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| Compound Synonyms | Ergosta-5,24(28)-dien-3beta-ol, Cholesterol, 24-methylene-, 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, NSC-232664, Ergosta-5,24(28)-dien-3.beta.-ol, Ergosta-5, (3.beta.)-, 209112-82-3, JIA11282, NSC232664 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Description | Constituent of clams and oysters 24-Methylenecholesterol is involved in the biosynthesis of steroids. 24-Methylenecholesterol is converted from 5-Dehydroepisterol by 7-dehydrocholesterol reductase [EC:1.3.1.21]. 24-Methylenecholesterol is converted to Campesterol by delta24-sterol reductase [EC:1.3.1.72]. Ostreasterol is found in common walnut and mollusks. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 659.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q9UBM7 |
| Iupac Name | 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 8.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Ergostane steroids |
| Molecular Formula | C28H46O |
| Inchi Key | INDVLXYUCBVVKW-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (3b)-Ergosta-5,24(28)-dien-3-ol, 24-Methylcholesta-5,24(28)-dien-3beta-ol, 24-methylencholesterol, 24-methylene-cholest-5-en-3beta-ol, 24-methylene-Cholesterol, 24-Methylenecholesterol, Campestadienol, Chalinasterol, Cholesterol, 24-methylene-, Ergosta-5, 24(28)-dien-3&beta, -ol, Ergosta-5, 24(28)-dien-3b-ol, ergosta-5,24(28)-dien-3-ol, Ergosta-5,24(28)-dien-3-ol, (3&beta, )-, Ergosta-5,24(28)-dien-3-ol, (3beta)- (9CI), Ergosta-5,24(28)-dien-3&beta, -ol, Ergosta-5,24(28)-dien-3b-ol, Ergosta-5,24(28)-dien-3beta-ol, Ergosta-5,24(28)-dien-3beta-ol (8CI), Oestreasterol, Ostreasterol |
| Substituent Name | Ergosterol-skeleton, 3-beta-hydroxysteroid, 3-beta-hydroxy-delta-5-steroid, Hydroxysteroid, 3-hydroxysteroid, 3-hydroxy-delta-5-steroid, Delta-5-steroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Compound Name | Ergosta-5,24(28)-dien-3beta-ol |
| Kingdom | Organic compounds |
| Exact Mass | 398.355 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 398.355 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 398.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3 |
| Smiles | CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all