(1S,4S,5R,9S,10R,13R,14S)-14-(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol
PubChem CID: 162829586
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,4S,5R,9S,10R,13R,14S)-14-(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C18H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEOJQXZLSIFSFW-RJCFJXPSSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.75 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.233 |
| Compound Name | (1S,4S,5R,9S,10R,13R,14S)-14-(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9888031999999995 |
| Inchi | InChI=1S/C18H30O2/c1-17-7-2-3-15(20)14(17)6-8-18-9-12(4-5-16(17)18)13(10-18)11-19/h12-16,19-20H,2-11H2,1H3/t12-,13-,14-,15-,16+,17-,18+/m1/s1 |
| Smiles | C[C@@]12CCC[C@H]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@H](C4)CO)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients