Furanether A
PubChem CID: 155911
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| Compound Synonyms | Furanether A, 72601-35-5, 4,8-Epoxyazuleno(5,6-c)furan, 4,4a,5,6,7,7a,8,9-octahydro-6,6,8-trimethyl-, (4S,4aR,7aS,8S)-, 4,8-Epoxyazuleno(5,6-c)furan, 4,4a,5,6,7,7a,8,9-octahydro-6,6,8-trimethyl-, (4S-(4alpha,4aalpha,7aalpha,8alpha))-, (1S,8S,9S,13R)-8,11,11-trimethyl-4,14-dioxatetracyclo(6.5.1.02,6.09,13)tetradeca-2,5-diene, (1S,8S,9S,13R)-8,11,11-trimethyl-4,14-dioxatetracyclo[6.5.1.02,6.09,13]tetradeca-2,5-diene, DTXSID60993469, 6,6,8-Trimethyl-4,4a,5,6,7,7a,8,9-octahydro-4,8-epoxyazuleno[5,6-c]furan |
|---|---|
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,8S,9S,13R)-8,11,11-trimethyl-4,14-dioxatetracyclo[6.5.1.02,6.09,13]tetradeca-2,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILACEZQKVDMRMW-HTUGSXCWSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.316 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.42 |
| Compound Name | Furanether A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3376496588235294 |
| Inchi | InChI=1S/C15H20O2/c1-14(2)5-10-12(6-14)15(3)4-9-7-16-8-11(9)13(10)17-15/h7-8,10,12-13H,4-6H2,1-3H3/t10-,12+,13+,15+/m1/s1 |
| Smiles | C[C@@]12CC3=COC=C3[C@@H](O1)[C@H]4[C@@H]2CC(C4)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients