Palustradienol
PubChem CID: 13652174
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| Compound Synonyms | palustradienol, 21414-53-9, Palustrinol, Palustradien-18-ol, CHEBI:81594, EINECS 244-378-7, (1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl)methanol, C18219, Q27155482, (1R-(1alpha,4Abeta,10aalpha))-1,2,3,4,4a,5,6,9,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol, [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl]methanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H32O |
| Prediction Swissadme | 1.0 |
| Inchi Key | PMRGRURZTGRVDP-SLFFLAALSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.476 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.803 |
| Compound Name | Palustradienol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 288.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.369345 |
| Inchi | InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18,21H,5-11,13H2,1-4H3/t18-,19-,20+/m0/s1 |
| Smiles | CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CO)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Loropetalum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients