(1S,4S,6R,9S,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol
PubChem CID: 21625896
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,4S,6R,9S,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISWKVGZRDOOKMD-JTBPYRKJSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.836 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.509 |
| Compound Name | (1S,4S,6R,9S,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.518538 |
| Inchi | InChI=1S/C20H34O2/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15-,16+,18+,19-,20+/m0/s1 |
| Smiles | C[C@@]12CC[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3)[C@@](C4)(C)O)(C)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Primula Mistassinica (Plant) Rel Props:Source_db:cmaup_ingredients