(8S)-1,2,3,4,8,9-Hexahydro-4,4,8-trimethylphenanthro[3,2-b]furan-7,11-dione
PubChem CID: 101603194
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| Compound Synonyms | 22550-15-8, (8S)-1,2,3,4,8,9-Hexahydro-4,4,8-trimethylphenanthro[3,2-b]furan-7,11-dione, HY-N6651, AKOS040760470, CS-0063746, (8S)-4,4,8-trimethyl-1H,2H,3H,4H,7H,8H,9H,11H-phenanthro[3,2-b]furan-7,11-dione, (8S)-4,4,8-trimethyl-1H,2H,3H,8H,9H-phenanthro[3,2-b]furan-7,11-dione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-4,4,8-trimethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VUIHARLRBGHPEA-SNVBAGLBSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -3.971 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.925 |
| Compound Name | (8S)-1,2,3,4,8,9-Hexahydro-4,4,8-trimethylphenanthro[3,2-b]furan-7,11-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.563087381818182 |
| Inchi | InChI=1S/C19H20O3/c1-10-9-22-18-14(10)16(20)12-6-7-13-11(15(12)17(18)21)5-4-8-19(13,2)3/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1 |
| Smiles | C[C@@H]1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients