(1R,3R,4R,7R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,13,14-tetrol
PubChem CID: 137634247
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| Compound Synonyms | CHEMBL4069383 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,3R,4R,7R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,13,14-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXWMSRWNBVURRA-VXUWONBCSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.184 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.594 |
| Compound Name | (1R,3R,4R,7R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,13,14-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0852256000000002 |
| Inchi | InChI=1S/C20H34O4/c1-16(2)7-12(21)8-17(3)14-5-6-20(24)11-19(14,10-18(20,4)23)9-13(22)15(16)17/h12-15,21-24H,5-11H2,1-4H3/t12-,13-,14+,15-,17+,18-,19-,20+/m1/s1 |
| Smiles | C[C@@]12C[C@@H](CC([C@H]1[C@@H](C[C@]34[C@H]2CC[C@](C3)([C@](C4)(C)O)O)O)(C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Cretica (Plant) Rel Props:Source_db:cmaup_ingredients