1,1,7-Trimethyldecahydro-3a,7-methanocyclopenta[8]annulene-3,6-diol
PubChem CID: 596186
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| Compound Synonyms | BWXJQHJHGMZLBT-UHFFFAOYSA-N, CAA64964, STL446015, AKOS000508611, AKOS030485834, CCG-357272, 4,4,8-Trimethyltricyclo[6.3.1.0(1,5)]dodecane-2,9-diol, 4,4,8-TRIMETHYLTRICYCLO[6.3.1.0(1),?]DODECANE-2,9-DIOL, 1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulene-3,6-diol, (1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.0^{1,5]dodecane-2,9-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWXJQHJHGMZLBT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.286 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.946 |
| Compound Name | 1,1,7-Trimethyldecahydro-3a,7-methanocyclopenta[8]annulene-3,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1134002 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3 |
| Smiles | CC1(CC(C23C1CCC(C2)(C(CC3)O)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients