Rimuen
PubChem CID: 6432170
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| Compound Synonyms | Rimuen, 5,15-Rosadiene, Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, [4aS-(4a.alpha.,4b.beta.,7.alpha.,8a.alpha.)]-, Rosa-5,15-diene, (13S)-, BAIWMJSLFJWAQP-YHZLUUAOSA-N, Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, (4aS,4bR,7S,8aR)-, (2s,4as)-2-ethenyl-2,4a,8,8-tetramethyl-3,4,4b,5,6,7,10,10a-octahydro-1h-phenan-threne |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4aS)-2-ethenyl-2,4a,8,8-tetramethyl-3,4,4b,5,6,7,10,10a-octahydro-1H-phenanthrene |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BAIWMJSLFJWAQP-YHZLUUAOSA-N |
| Fcsp3 | 0.8 |
| Logs | -6.466 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.858 |
| Compound Name | Rimuen |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.879651199999999 |
| Inchi | InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15?,17?,19-,20-/m0/s1 |
| Smiles | C[C@@]1(CC[C@@]2(C3CCCC(C3=CCC2C1)(C)C)C)C=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients