alpha-Epoxydihydroartemisinic acid
PubChem CID: 21600809
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| Compound Synonyms | alpha-Epoxydihydroartemisinic acid, 380487-65-0, (2R)-2-[(1aR,3aS,4R,7R,7aS,7bS)-1a,4-dimethyl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxiren-7-yl]propanoic acid, -Epoxydihydroartemisinic acid, , A-Epoxydihydroartemisinic acid, AKOS032961702, FS-9848, CS-0023424, (R,1aR,3aS,4R,7R,7aS,7bS)-Decahydro-,1a,4-trimethylnaphth[1,2-b]oxirene-7-acetic acid |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R)-2-[(1aR,3aS,4R,7R,7aS,7bS)-1a,4-dimethyl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxiren-7-yl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FRUVDMZCZGVCDC-KRIXLRNNSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -3.226 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.919 |
| Compound Name | alpha-Epoxydihydroartemisinic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0068452 |
| Inchi | InChI=1S/C15H24O3/c1-8-4-5-11(9(2)14(16)17)12-10(8)6-7-15(3)13(12)18-15/h8-13H,4-7H2,1-3H3,(H,16,17)/t8-,9-,10+,11+,12+,13+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@@H]2[C@H]1CC[C@@]3([C@H]2O3)C)[C@@H](C)C(=O)O |
| 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