(4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-ol
PubChem CID: 102066439
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C20H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQZJXJMDJDBUMZ-FQEVSTJZSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.647 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.564 |
| Compound Name | (4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.654975171428571 |
| Inchi | InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h8,11-13,21H,6-7,9-10H2,1-5H3/t20-/m0/s1 |
| Smiles | CC(C)C1=CC2=C(C(=C1)O)[C@]3(CCCC(C3=CC2)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dysoxylum Macranthum (Plant) Rel Props:Source_db:cmaup_ingredients