(+)-Dolasta-1(15),7,9-trien-14-ol
PubChem CID: 13969917
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| Compound Synonyms | (+)-dolasta-1(15),7,9-trien-14-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (5aR,9aR,10aS)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,5,6,7,8,10-hexahydrobenzo[f]azulen-9a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C20H30O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IENFPAQBPUQGPF-XUVXKRRUSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.205 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.805 |
| Compound Name | (+)-Dolasta-1(15),7,9-trien-14-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 286.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1645458 |
| Inchi | InChI=1S/C20H30O/c1-14(2)16-8-11-18(4)13-20(21)15(3)7-6-10-19(20,5)12-9-17(16)18/h8-9,14,21H,3,6-7,10-13H2,1-2,4-5H3/t18-,19+,20+/m0/s1 |
| Smiles | CC(C)C1=CC[C@@]2(C1=CC[C@]3(CCCC(=C)[C@@]3(C2)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erysimum Crepidifolium (Plant) Rel Props:Source_db:cmaup_ingredients