cis-beta-Santalene
PubChem CID: 6430549
Connections displayed (default: 10).
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| Compound Synonyms | cis-.beta.-santalene, Santalene (major), (Z)-.beta.-santalene, PGBNIHXXFQBCPU-RRFJBIMHSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,4S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGBNIHXXFQBCPU-RRFJBIMHSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.978 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.183 |
| Compound Name | cis-beta-Santalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.808713399999999 |
| Inchi | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m0/s1 |
| Smiles | CC(=CCC[C@]1([C@@H]2CC[C@@H](C2)C1=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients