(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one
PubChem CID: 13991214
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| Compound Synonyms | (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one, 25-Methyldolichosterone, 25-Methyldiolichosterone, CHEBI:169366, 17-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-2,3-dihydroxy-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 | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | HAOQPQZVDMAOKT-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 25-Methyldiolichosterone, 25-Methyldolichosterone |
| Heavy Atom Count | 34.0 |
| Compound Name | (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one |
| Description | Constituent of the immature seeds of Phaseolus vulgaris (kidney bean). (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one is found in many foods, some of which are pulses, yellow wax bean, common bean, and green bean. |
| Exact Mass | 476.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.35 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 816.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 476.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3 |
| Smiles | CC(C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)C(C(C(=C)C(C)(C)C)O)O |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H48O5 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all