5alpha-Cholestane
PubChem CID: 2723895
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| Compound Synonyms | 5alpha-Cholestane, 481-21-0, alpha-Cholestane, 5-alpha-Cholestane, (5alpha)-Cholestane, 28,29,30-Trinorlanostane, a-Cholestane, CHEBI:35515, Cholestane, (5.alpha.)-, U260HWN305, .alpha.-Cholestane, 5.alpha.-Cholestane, (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene, DTXSID20880725, UNII-U260HWN305, ?-Cholestane, NSC-224419, EINECS 207-562-8, 5 alpha -Cholestane, NSC 224419, 5-I+/--cholestane, (5alpha-)-Cholestane, 5?-CHOLESTANE, 5alpha-Cholestane (8CI), 5-.ALPHA.-CHOLESTANE, (5.ALPHA.)-CHOLESTANE, CHEMBL3138638, MFCD00066412, (5.ALPHA.)-CHOLESTANE [MI], AKOS015841753, FC20419, AS-81472, PD126720, 5-alpha-Cholestane, >=97.0% (HPLC), DB-242213, HY-133970, CS-0136119, G77790, Q63395848, 5798975C-D64C-4C32-8E13-78DDCD9F8FF7, (5?)-Cholestane, (20R)-5?(H),14?(H),17?(H)-Cholestane, (20R)-5.ALPHA.(H),14.ALPHA.(H),17.ALPHA.(H)-CHOLESTANE, 5-alpha-Cholestane, certified reference material, 10 mg/mL in chloroform, (1S,2S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Description | Cholestane is a saturated 27-carbon steroid precursor which serves as the basis for many organic molecules. 5alpha-Cholestane is found in potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 506.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 11.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Cholestane steroids |
| Molecular Formula | C27H48 |
| Inchi Key | XIIAYQZJNBULGD-XWLABEFZSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (5alpha)-Cholestane, &alpha, -Cholestane, 28,29,30-Trinorlanostane, 5&alpha, -Cholestane, 5alpha-Cholestane (8CI), alpha-Cholestane, Cholestane, (5a)-Cholestane, (5Α)-cholestane, a-Cholestane, Α-cholestane, 5a-Cholestane, 5Α-cholestane, 5alpha-Cholestane (8ci) |
| Compound Name | 5alpha-Cholestane |
| Kingdom | Organic compounds |
| Exact Mass | 372.376 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 372.376 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 372.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cholestane steroids |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all