7beta-Hydroxysteroid
PubChem CID: 439865
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| Compound Synonyms | 7beta-Hydroxysteroid, C02956 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C19H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUCUXPJTVXMEKL-JHBQCQMPSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.462 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.509 |
| Compound Name | 7beta-Hydroxysteroid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 276.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.504176799999999 |
| Inchi | InChI=1S/C19H32O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-17,20H,3-12H2,1-2H3/t13?,14?,15?,16-,17?,18?,19?/m0/s1 |
| Smiles | CC12CCCC1C3[C@H](CC4CCCCC4(C3CC2)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients