gamma-Cedrene
PubChem CID: 91748773
Connections displayed (default: 10).
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| Compound Synonyms | .gamma.-Cedrene, MAGKTAGHFGHGSY-FAZIQFPJSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6aS)-5-[(Z)-but-2-en-2-yl]-3,3a,6,6,6a-pentamethyl-2,3,4,5-tetrahydro-1H-pentalene |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C17H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MAGKTAGHFGHGSY-FAZIQFPJSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -5.912 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.121 |
| Compound Name | gamma-Cedrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 234.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.2846474 |
| Inchi | InChI=1S/C17H30/c1-8-12(2)14-11-16(6)13(3)9-10-17(16,7)15(14,4)5/h8,13-14H,9-11H2,1-7H3/b12-8-/t13-,14?,16?,17+/m1/s1 |
| Smiles | C/C=C(/C)\C1CC2([C@@H](CC[C@]2(C1(C)C)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients