Cholest-4,6-diene-3-ol
PubChem CID: 85700
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cholest-4,6-diene-3-ol, AKOS040735858 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 8.4 |
| Molecular Formula | C27H44O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIULDMFHZZHYKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8518518518518519 |
| Logs | -3.923 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.04 |
| Compound Name | Cholest-4,6-diene-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.339 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.339 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 384.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.167917600000001 |
| Inchi | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3 |
| Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(CCC34C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients