gamma-Gurjunenepoxide
PubChem CID: 91750050
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| Compound Synonyms | .gamma.-Gurjunenepoxide, LUFORWLKICOOBH-KKZDCVFZSA-N |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,7S,8S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.02,4]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LUFORWLKICOOBH-KKZDCVFZSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.923 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.333 |
| Compound Name | gamma-Gurjunenepoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6380071999999997 |
| Inchi | InChI=1S/C15H24O/c1-9-5-6-11-12(13(11,2)3)15-10(9)7-8-14(15,4)16-15/h9-12H,5-8H2,1-4H3/t9-,10-,11?,12+,14?,15?/m0/s1 |
| Smiles | C[C@H]1CCC2[C@H](C2(C)C)C34[C@H]1CCC3(O4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients