(1R,3R,4R,6S,8R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,13,14-hexol
PubChem CID: 155528834
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4461935 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,3R,4R,6S,8R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,13,14-hexol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Is Pains | False |
| Molecular Formula | C20H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNERCVRBAIBHTR-SEMMYFRYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R,3R,4R,6S,8R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,13,14-hexol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.236 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 370.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 370.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2567132 |
| Inchi | InChI=1S/C20H34O6/c1-15(2)13(21)7-12-17(4,24)11-5-6-19(25)10-18(11,9-16(19,3)23)8-14(22)20(12,15)26/h11-14,21-26H,5-10H2,1-4H3/t11-,12+,13-,14+,16+,17-,18+,19-,20-/m0/s1 |
| Smiles | C[C@]1(C[C@@]23C[C@H]([C@]4([C@H](C[C@@H](C4(C)C)O)[C@@]([C@@H]2CC[C@@]1(C3)O)(C)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pieris Japonica (Plant) Rel Props:Source_db:cmaup_ingredients